N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine

C36H62N2 — CID 71129084

About N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine

N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine (PubChem CID 71129084) has the molecular formula C36H62N2 and a molecular weight of 522.91 g/mol. Its IUPAC name is N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine.

Molecular Properties

• Compound Name: N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine
• PubChem CID: 71129084
• Molecular Formula: C36H62N2
• Molecular Weight: 522.91 g/mol
• Exact Mass: 522.49
• IUPAC Name: N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine
• SMILES: C1CCC2C(C1)CCCC2NC1CCC(C2CCC(NC3CC4CCCCC4C4CCCCC34)CC2)CC1
• InChI: InChI=1S/C36H62N2/c1-4-12-32-27(8-1)10-7-15-35(32)37-29-20-16-25(17-21-29)26-18-22-30(23-19-26)38-36-24-28-9-2-3-11-31(28)33-13-5-6-14-34(33)36/h25-38H,1-24H2
• InChIKey: VUDMAYUTDNAGBI-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.91
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine?

The IUPAC name of N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine (CID 71129084) is N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine.

What is the SMILES notation for N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine?

The canonical SMILES for N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine is C1CCC2C(C1)CCCC2NC1CCC(C2CCC(NC3CC4CCCCC4C4CCCCC34)CC2)CC1.

What is the InChIKey of N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine?

The InChIKey is VUDMAYUTDNAGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2/c1-4-12-32-27(8-1)10-7-15-35(32)37-29-20-16-25(17-21-29)26-18-22-30(23-19-26)38-36-24-28-9-2-3-11-31(28)33-13-5-6-14-34(33)36/h25-38H,1-24H2.

What are the key properties of N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine?

N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine has a molecular weight of 522.91 g/mol, XLogP of 9.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine is sourced from PubChem (CID 71129084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).