9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine

C37H65N5 — CID 140888802

About 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine

9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine (PubChem CID 140888802) has the molecular formula C37H65N5 and a molecular weight of 579.96 g/mol. Its IUPAC name is 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine.

Molecular Properties

• Compound Name: 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine
• PubChem CID: 140888802
• Molecular Formula: C37H65N5
• Molecular Weight: 579.96 g/mol
• Exact Mass: 579.52
• IUPAC Name: 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine
• SMILES: C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CCCNC2N3C2CCC(C3CCNC4CCCNC43)CC2)CC1
• InChI: InChI=1S/C37H65N5/c1-3-9-27(10-4-1)41(28-11-5-2-6-12-28)30-19-20-35-33(25-30)32-13-7-23-40-37(32)42(35)29-17-15-26(16-18-29)31-21-24-38-34-14-8-22-39-36(31)34/h26-40H,1-25H2
• InChIKey: RMFKOPHCPFRVDQ-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 42.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.96
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine?

The IUPAC name of 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine (CID 140888802) is 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine.

What is the SMILES notation for 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine?

The canonical SMILES for 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine is C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CCCNC2N3C2CCC(C3CCNC4CCCNC43)CC2)CC1.

What is the InChIKey of 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine?

The InChIKey is RMFKOPHCPFRVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H65N5/c1-3-9-27(10-4-1)41(28-11-5-2-6-12-28)30-19-20-35-33(25-30)32-13-7-23-40-37(32)42(35)29-17-15-26(16-18-29)31-21-24-38-34-14-8-22-39-36(31)34/h26-40H,1-25H2.

What are the key properties of 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine?

9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine has a molecular weight of 579.96 g/mol, XLogP of 6.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 140888802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).