5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane

C84H166N16 — CID 167590788

About 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane

5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 167590788) has the molecular formula C84H166N16 and a molecular weight of 1400.36 g/mol. Its IUPAC name is 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

• Compound Name: 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane
• PubChem CID: 167590788
• Molecular Formula: C84H166N16
• Molecular Weight: 1400.36 g/mol
• Exact Mass: 1399.35
• IUPAC Name: 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane
• SMILES: CC(C)N1CC2C(N)C2C1.CC(C)N1CC2CC2(N)C1.CC(C)N1CC2CCC2(N)C1.CC(C)N1CC2CCNC2C1.CC(C)N1CC2CNC2C1.CC(C)N1CCC2CCC2C1.CC(C)N1CCC2CCCC2C1.CC(C)N1CCCC2NCCC21.CC(C)N1CCCC2NCCCC21
• InChI: InChI=1S/C11H22N2.C11H21N.C10H20N2.C10H19N.2C9H18N2.3C8H16N2/c1-9(2)13-8-4-5-10-11(13)6-3-7-12-10;1-9(2)12-7-6-10-4-3-5-11(10)8-12;1-8(2)12-7-3-4-9-10(12)5-6-11-9;1-8(2)11-6-5-9-3-4-10(9)7-11;1-7(2)11-5-8-3-4-10-9(8)6-11;1-7(2)11-5-8-3-4-9(8,10)6-11;1-6(2)10-4-7-3-9-8(7)5-10;1-6(2)10-4-7-3-8(7,9)5-10;1-5(2)10-3-6-7(4-10)8(6)9/h9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-8H,3-6,10H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5,9H2,1-2H3;5-8H,3-4,9H2,1-2H3
• InChIKey: IKGYAFOMGKPTOT-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 155.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1400.36
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?

The IUPAC name of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane (CID 167590788) is 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane.

What is the SMILES notation for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?

The canonical SMILES for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane is CC(C)N1CC2C(N)C2C1.CC(C)N1CC2CC2(N)C1.CC(C)N1CC2CCC2(N)C1.CC(C)N1CC2CCNC2C1.CC(C)N1CC2CNC2C1.CC(C)N1CCC2CCC2C1.CC(C)N1CCC2CCCC2C1.CC(C)N1CCCC2NCCC21.CC(C)N1CCCC2NCCCC21.

What is the InChIKey of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?

The InChIKey is IKGYAFOMGKPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C11H21N.C10H20N2.C10H19N.2C9H18N2.3C8H16N2/c1-9(2)13-8-4-5-10-11(13)6-3-7-12-10;1-9(2)12-7-6-10-4-3-5-11(10)8-12;1-8(2)12-7-3-4-9-10(12)5-6-11-9;1-8(2)11-6-5-9-3-4-10(9)7-11;1-7(2)11-5-8-3-4-10-9(8)6-11;1-7(2)11-5-8-3-4-9(8,10)6-11;1-6(2)10-4-7-3-9-8(7)5-10;1-6(2)10-4-7-3-8(7,9)5-10;1-5(2)10-3-6-7(4-10)8(6)9/h9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-8H,3-6,10H2,1-2H3;6-9H,3-5H2,1-2H3;6-7H,3-5,9H2,1-2H3;5-8H,3-4,9H2,1-2H3.

What are the key properties of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane?

5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 1400.36 g/mol, XLogP of 9.99, 9 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine;4-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-propan-2-yl-3-azabicyclo[3.2.0]heptan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-amine;3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;3-propan-2-yl-3-azabicyclo[4.2.0]octane;3-propan-2-yl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 167590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).