(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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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

C200H399N31O4 — CID 157157726

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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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)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)CN(C)C[C@@]2(C)C1.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)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)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/10C13H26N2.2C12H24N2O.C12H24N2.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)15-9-12(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;2*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)14-6-7-15-12(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)14-8-11(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;3*11H,6-10H2,1-5H3;2*10-11,14H,6-9H2,1-5H3;4*11H,6-10H2,1-5H3;2*10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*9H,6-8H2,1-5H3/t11?,12-,13+;2*12-,13+;12-,13-;11?,12-,13-;11?,12-,13+;4*12-,13+;3*11-,12+;10?,11-,12+;10-,11+;10-,11-/m0000101000010000/s1
InChIKeyALZXYQYTNGHINV-VZQJMADXSA-N
MW3302.60 g/mol
LogP30.42
Rot. Bonds16

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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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 157157726) has the molecular formula C200H399N31O4 and a molecular weight of 3302.60 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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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 CID157157726
Molecular FormulaC200H399N31O4
Molecular Weight3302.60 g/mol
Exact Mass3300.20
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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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)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)CN(C)C[C@@]2(C)C1.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)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)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/10C13H26N2.2C12H24N2O.C12H24N2.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)15-9-12(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;2*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)14-6-7-15-12(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)14-8-11(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;3*11H,6-10H2,1-5H3;2*10-11,14H,6-9H2,1-5H3;4*11H,6-10H2,1-5H3;2*10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*9H,6-8H2,1-5H3/t11?,12-,13+;2*12-,13+;12-,13-;11?,12-,13-;11?,12-,13+;4*12-,13+;3*11-,12+;10?,11-,12+;10-,11+;10-,11-/m0000101000010000/s1
InChIKeyALZXYQYTNGHINV-VZQJMADXSA-N
XLogP30.42
TPSA163.73 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003302.60
LogP ≤ 530.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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

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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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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 157157726) 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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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)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)CN(C)C[C@@]2(C)C1.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)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)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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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 ALZXYQYTNGHINV-VZQJMADXSA-N. The full InChI is InChI=1S/10C13H26N2.2C12H24N2O.C12H24N2.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)15-9-12(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;2*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)14-6-7-15-12(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)14-8-11(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;3*11H,6-10H2,1-5H3;2*10-11,14H,6-9H2,1-5H3;4*11H,6-10H2,1-5H3;2*10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*9H,6-8H2,1-5H3/t11?,12-,13+;2*12-,13+;12-,13-;11?,12-,13-;11?,12-,13+;4*12-,13+;3*11-,12+;10?,11-,12+;10-,11+;10-,11-/m0000101000010000/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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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 3302.60 g/mol, XLogP of 30.42, 16 rotatable bonds, 3 hydrogen bond donors, and 35 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;(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;(4aS,7aR)-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);(4aR,7aR)-4a,6,7a-trimethyl-1-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,6aS)-1,3a,6a-trimethyl-5-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 157157726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).