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

C148H294N22O2 — CID 158646038

IUPAC(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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)N1CC[C@@]2(C)CCN(C)C[C@@]12C.CC(C)N1CC[C@]2(C)CCN(C)C[C@]12C.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)CCN(C)[C@@]2(C)C1.CC(C)N1C[C@@]2(C)CN(C)[C@@]2(C)C1.CC(C)N1C[C@@]2(C)N(C)CCO[C@@]2(C)C1.CC(C)N1C[C@@]2(C)OCCN(C)[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)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CN(C)[C@]2(C)C1
InChIInChI=1S/4C13H26N2.2C13H25N.2C12H24N2O.2C12H24N2.2C11H22N2/c2*1-11(2)15-9-7-12(3)6-8-14(5)10-13(12,15)4;2*1-11(2)15-9-12(3)7-6-8-14(5)13(12,4)10-15;2*1-10(2)14-8-12(4)7-6-11(3)13(12,5)9-14;2*1-10(2)14-8-11(3)12(4,9-14)15-7-6-13(11)5;2*1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14;2*1-9(2)13-7-10(3)6-12(5)11(10,4)8-13/h4*11H,6-10H2,1-5H3;2*10-11H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3/t2*12-,13-;2*12-,13+;2*11?,12-,13-;4*11-,12+;2*10-,11+/m101010101010/s1
InChIKeyIAZCGQASSUKNLC-UWHHNONDSA-N
MW2414.13 g/mol
LogP23.95
Rot. Bonds12

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

(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 158646038) has the molecular formula C148H294N22O2 and a molecular weight of 2414.13 g/mol. Its IUPAC name is (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 CID158646038
Molecular FormulaC148H294N22O2
Molecular Weight2414.13 g/mol
Exact Mass2412.36
IUPAC Name(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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)N1CC[C@@]2(C)CCN(C)C[C@@]12C.CC(C)N1CC[C@]2(C)CCN(C)C[C@]12C.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)CCN(C)[C@@]2(C)C1.CC(C)N1C[C@@]2(C)CN(C)[C@@]2(C)C1.CC(C)N1C[C@@]2(C)N(C)CCO[C@@]2(C)C1.CC(C)N1C[C@@]2(C)OCCN(C)[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)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CN(C)[C@]2(C)C1
InChIInChI=1S/4C13H26N2.2C13H25N.2C12H24N2O.2C12H24N2.2C11H22N2/c2*1-11(2)15-9-7-12(3)6-8-14(5)10-13(12,15)4;2*1-11(2)15-9-12(3)7-6-8-14(5)13(12,4)10-15;2*1-10(2)14-8-12(4)7-6-11(3)13(12,5)9-14;2*1-10(2)14-8-11(3)12(4,9-14)15-7-6-13(11)5;2*1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14;2*1-9(2)13-7-10(3)6-12(5)11(10,4)8-13/h4*11H,6-10H2,1-5H3;2*10-11H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3/t2*12-,13-;2*12-,13+;2*11?,12-,13-;4*11-,12+;2*10-,11+/m101010101010/s1
InChIKeyIAZCGQASSUKNLC-UWHHNONDSA-N
XLogP23.95
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002414.13
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 158646038) is (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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)N1CC[C@@]2(C)CCN(C)C[C@@]12C.CC(C)N1CC[C@]2(C)CCN(C)C[C@]12C.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)CCN(C)[C@@]2(C)C1.CC(C)N1C[C@@]2(C)CN(C)[C@@]2(C)C1.CC(C)N1C[C@@]2(C)N(C)CCO[C@@]2(C)C1.CC(C)N1C[C@@]2(C)OCCN(C)[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)CCN(C)[C@]2(C)C1.CC(C)N1C[C@]2(C)CN(C)[C@]2(C)C1.
What is the InChIKey of (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 IAZCGQASSUKNLC-UWHHNONDSA-N. The full InChI is InChI=1S/4C13H26N2.2C13H25N.2C12H24N2O.2C12H24N2.2C11H22N2/c2*1-11(2)15-9-7-12(3)6-8-14(5)10-13(12,15)4;2*1-11(2)15-9-12(3)7-6-8-14(5)13(12,4)10-15;2*1-10(2)14-8-12(4)7-6-11(3)13(12,5)9-14;2*1-10(2)14-8-11(3)12(4,9-14)15-7-6-13(11)5;2*1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14;2*1-9(2)13-7-10(3)6-12(5)11(10,4)8-13/h4*11H,6-10H2,1-5H3;2*10-11H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;2*10H,6-9H2,1-5H3;2*9H,6-8H2,1-5H3/t2*12-,13-;2*12-,13+;2*11?,12-,13-;4*11-,12+;2*10-,11+/m101010101010/s1.
What are the key properties of (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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?
(3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 2414.13 g/mol, XLogP of 23.95, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-3a,4,6a-trimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[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)-4,4a,7a-trimethyl-6-propan-2-yl-2,3,5,7-tetrahydropyrrolo[3,4-b][1,4]oxazine;(4aR,7aR)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1,4a,7a-trimethyl-6-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[3,4-b]pyridine;(3aR,7aS)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aR)-3a,6,7a-trimethyl-1-propan-2-yl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(3aR,6aR)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole;(1S,5R)-1,5,6-trimethyl-3-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 158646038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).