(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane

C250H497N37O4 — CID 161472286

IUPAC(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)N1CCC[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CCO[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CC[C@@]2(C)C(C)CC[C@@]12C.CC(C)N1CC[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CC[C@@]2(C)CN(C)C[C@@]2(C)C1.CC(C)N1CC[C@]2(C)CCN(C)C[C@]12C.CC(C)N1CC[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@@]2(C)N(C)CCO[C@@]2(C)C1.CC(C)N1C[C@]2(C)CCC(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)C[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CN(C)C[C@]12C.CC(C)N1C[C@]2(C)CN(C)[C@]2(C)C1.CC1CC[C@@]2(C)CN(C(C)C)C[C@@]2(C)N1.CC1CO[C@@]2(C)CN(C(C)C)C[C@@]2(C)O1.CC1C[C@@]2(C)CCN(C(C)C)C[C@@]2(C)N1.CC1C[C@@]2(C)CN(C(C)C)C[C@@]2(C)CN1
InChIInChI=1S/10C13H26N2.2C13H25N.2C12H24N2O.3C12H24N2.C12H23NO2.2C11H22N2/c1-10(2)15-8-12(4)6-11(3)14-7-13(12,5)9-15;1-11(2)15-9-7-12(3)6-8-14(5)13(12,4)10-15;1-11(2)15-9-7-12(3)6-8-14(5)10-13(12,15)4;1-11(2)15-9-12(3)6-7-14(5)8-13(12,4)10-15;1-11(2)15-7-6-12(3)8-14(5)9-13(12,4)10-15;1-10(2)15-7-6-12(4)8-11(3)14-13(12,5)9-15;1-10(2)15-8-12(4)7-6-11(3)14-13(12,5)9-15;1-11(2)15-8-6-7-12(3)9-14(5)10-13(12,15)4;2*1-11(2)15-9-12(3)7-6-8-14(5)13(12,4)10-15;1-10(2)14-8-12(4)7-6-11(3)13(12,5)9-14;1-10(2)14-9-8-12(4)11(3)6-7-13(12,14)5;1-10(2)14-6-7-15-12(4)9-13(5)8-11(12,14)3;1-10(2)14-8-11(3)12(4,9-14)15-7-6-13(11)5;1-10(2)14-7-6-11(3)8-13(5)9-12(11,14)4;2*1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14;1-9(2)13-7-11(4)12(5,8-13)15-10(3)6-14-11;1-9(2)13-7-10(3)6-12(5)11(10,4)8-13;1-9(2)13-7-10(3)6-12(5)8-11(10,13)4/h10-11,14H,6-9H2,1-5H3;4*11H,6-10H2,1-5H3;2*10-11,14H,6-9H2,1-5H3;3*11H,6-10H2,1-5H3;2*10-11H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;3*10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*9H,6-8H2,1-5H3/t11?,12-,13+;12-,13+;12-,13-;12-,13+;12-,13-;11?,12-,13-;11?,12-,13+;3*12-,13+;11?,12-,13-;11?,12-,13+;5*11-,12+;10?,11-,12+;10-,11+;10-,11-/m00000100000011000000/s1
InChIKeyWDGDVYLIZGIJPK-OOAZYYSYSA-N
MW4085.98 g/mol
LogP40.49
Rot. Bonds20

About (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane

(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 161472286) has the molecular formula C250H497N37O4 and a molecular weight of 4085.98 g/mol. Its IUPAC name is (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID161472286
Molecular FormulaC250H497N37O4
Molecular Weight4085.98 g/mol
Exact Mass4082.98
IUPAC Name(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)N1CCC[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CCO[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CC[C@@]2(C)C(C)CC[C@@]12C.CC(C)N1CC[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CC[C@@]2(C)CN(C)C[C@@]2(C)C1.CC(C)N1CC[C@]2(C)CCN(C)C[C@]12C.CC(C)N1CC[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@@]2(C)N(C)CCO[C@@]2(C)C1.CC(C)N1C[C@]2(C)CCC(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)C[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CN(C)C[C@]12C.CC(C)N1C[C@]2(C)CN(C)[C@]2(C)C1.CC1CC[C@@]2(C)CN(C(C)C)C[C@@]2(C)N1.CC1CO[C@@]2(C)CN(C(C)C)C[C@@]2(C)O1.CC1C[C@@]2(C)CCN(C(C)C)C[C@@]2(C)N1.CC1C[C@@]2(C)CN(C(C)C)C[C@@]2(C)CN1
InChIInChI=1S/10C13H26N2.2C13H25N.2C12H24N2O.3C12H24N2.C12H23NO2.2C11H22N2/c1-10(2)15-8-12(4)6-11(3)14-7-13(12,5)9-15;1-11(2)15-9-7-12(3)6-8-14(5)13(12,4)10-15;1-11(2)15-9-7-12(3)6-8-14(5)10-13(12,15)4;1-11(2)15-9-12(3)6-7-14(5)8-13(12,4)10-15;1-11(2)15-7-6-12(3)8-14(5)9-13(12,4)10-15;1-10(2)15-7-6-12(4)8-11(3)14-13(12,5)9-15;1-10(2)15-8-12(4)7-6-11(3)14-13(12,5)9-15;1-11(2)15-8-6-7-12(3)9-14(5)10-13(12,15)4;2*1-11(2)15-9-12(3)7-6-8-14(5)13(12,4)10-15;1-10(2)14-8-12(4)7-6-11(3)13(12,5)9-14;1-10(2)14-9-8-12(4)11(3)6-7-13(12,14)5;1-10(2)14-6-7-15-12(4)9-13(5)8-11(12,14)3;1-10(2)14-8-11(3)12(4,9-14)15-7-6-13(11)5;1-10(2)14-7-6-11(3)8-13(5)9-12(11,14)4;2*1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14;1-9(2)13-7-11(4)12(5,8-13)15-10(3)6-14-11;1-9(2)13-7-10(3)6-12(5)11(10,4)8-13;1-9(2)13-7-10(3)6-12(5)8-11(10,13)4/h10-11,14H,6-9H2,1-5H3;4*11H,6-10H2,1-5H3;2*10-11,14H,6-9H2,1-5H3;3*11H,6-10H2,1-5H3;2*10-11H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;3*10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*9H,6-8H2,1-5H3/t11?,12-,13+;12-,13+;12-,13-;12-,13+;12-,13-;11?,12-,13-;11?,12-,13+;3*12-,13+;11?,12-,13-;11?,12-,13+;5*11-,12+;10?,11-,12+;10-,11+;10-,11-/m00000100000011000000/s1
InChIKeyWDGDVYLIZGIJPK-OOAZYYSYSA-N
XLogP40.49
TPSA183.17 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004085.98
LogP ≤ 540.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine
CID 157157734
(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 157157728
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
4a,7a-dimethyl-6-propan-2-yl-1-sulfanyl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine
CID 145242197
5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane
CID 178173208
(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole
CID 142903352
(3R)-3-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 162438959
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
(2R)-2-methyl-5-propan-2-yl-5-azaspiro[2.5]octane
CID 118287941
3,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 22975671
(4S,6R)-8-methyl-1-oxa-8-azaspiro[5.5]undecan-4-amine
CID 99110024
2-methyl-6-propan-2-yl-2,6,8-triazaspiro[4.5]decane
CID 11344615

Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane (CID 161472286) is (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane is CC(C)N1CCC[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CCO[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CC[C@@]2(C)C(C)CC[C@@]12C.CC(C)N1CC[C@@]2(C)CN(C)C[C@@]12C.CC(C)N1CC[C@@]2(C)CN(C)C[C@@]2(C)C1.CC(C)N1CC[C@]2(C)CCN(C)C[C@]12C.CC(C)N1CC[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@@]2(C)N(C)CCO[C@@]2(C)C1.CC(C)N1C[C@]2(C)CCC(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)C[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CN(C)C[C@]12C.CC(C)N1C[C@]2(C)CN(C)[C@]2(C)C1.CC1CC[C@@]2(C)CN(C(C)C)C[C@@]2(C)N1.CC1CO[C@@]2(C)CN(C(C)C)C[C@@]2(C)O1.CC1C[C@@]2(C)CCN(C(C)C)C[C@@]2(C)N1.CC1C[C@@]2(C)CN(C(C)C)C[C@@]2(C)CN1.
What is the InChIKey of (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is WDGDVYLIZGIJPK-OOAZYYSYSA-N. The full InChI is InChI=1S/10C13H26N2.2C13H25N.2C12H24N2O.3C12H24N2.C12H23NO2.2C11H22N2/c1-10(2)15-8-12(4)6-11(3)14-7-13(12,5)9-15;1-11(2)15-9-7-12(3)6-8-14(5)13(12,4)10-15;1-11(2)15-9-7-12(3)6-8-14(5)10-13(12,15)4;1-11(2)15-9-12(3)6-7-14(5)8-13(12,4)10-15;1-11(2)15-7-6-12(3)8-14(5)9-13(12,4)10-15;1-10(2)15-7-6-12(4)8-11(3)14-13(12,5)9-15;1-10(2)15-8-12(4)7-6-11(3)14-13(12,5)9-15;1-11(2)15-8-6-7-12(3)9-14(5)10-13(12,15)4;2*1-11(2)15-9-12(3)7-6-8-14(5)13(12,4)10-15;1-10(2)14-8-12(4)7-6-11(3)13(12,5)9-14;1-10(2)14-9-8-12(4)11(3)6-7-13(12,14)5;1-10(2)14-6-7-15-12(4)9-13(5)8-11(12,14)3;1-10(2)14-8-11(3)12(4,9-14)15-7-6-13(11)5;1-10(2)14-7-6-11(3)8-13(5)9-12(11,14)4;2*1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14;1-9(2)13-7-11(4)12(5,8-13)15-10(3)6-14-11;1-9(2)13-7-10(3)6-12(5)11(10,4)8-13;1-9(2)13-7-10(3)6-12(5)8-11(10,13)4/h10-11,14H,6-9H2,1-5H3;4*11H,6-10H2,1-5H3;2*10-11,14H,6-9H2,1-5H3;3*11H,6-10H2,1-5H3;2*10-11H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;3*10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*9H,6-8H2,1-5H3/t11?,12-,13+;12-,13+;12-,13-;12-,13+;12-,13-;11?,12-,13-;11?,12-,13+;3*12-,13+;11?,12-,13-;11?,12-,13+;5*11-,12+;10?,11-,12+;10-,11+;10-,11-/m00000100000011000000/s1.
What are the key properties of (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?
(4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 4085.98 g/mol, XLogP of 40.49, 20 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-2,4a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[3,4-b]pyridine;(3aR,7aS)-2,3a,7a-trimethyl-6-propan-2-yl-1,2,3,4,5,7-hexahydropyrrolo[2,3-c]pyridine;(3aR,7aR)-3a,6,7a-trimethyl-2-propan-2-yl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;(3aS,6aR)-3a,4,6a-trimethyl-1-propan-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrole;(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(4aR,7aS)-3,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydro-[1,4]dioxino[2,3-c]pyrrole;(4aR,7aS)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aS)-4a,6,7a-trimethyl-4-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;bis((4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine);(4aS,7aS)-4a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-1,3a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-2,3a,7a-trimethyl-5-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-3a,5,7a-trimethyl-2-propan-2-yl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;bis((3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole);(3aS,6aS)-3a,5,6a-trimethyl-1-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,3,5-trimethyl-6-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-1,5,6-trimethyl-3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 161472286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).