4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine

C68H110N2 — CID 155373629

About 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine

4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine (PubChem CID 155373629) has the molecular formula C68H110N2 and a molecular weight of 955.64 g/mol. Its IUPAC name is 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine
• PubChem CID: 155373629
• Molecular Formula: C68H110N2
• Molecular Weight: 955.64 g/mol
• Exact Mass: 954.87
• IUPAC Name: 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine
• SMILES: C1=CC2C(CC1)C1CCCCC1N2C1CCCC(C2CCC(N(C3CCC(C4CCCC(C5CCC=C6CCCCC65)C4)CC3)C3CCC(C4CCCC(C5CCCC6CCCC[C@@H]65)C4)CC3)CC2)C1
• InChI: InChI=1S/C68H110N2/c1-3-24-61-50(14-1)16-12-28-63(61)55-21-9-18-52(44-55)47-32-38-57(39-33-47)69(58-40-34-48(35-41-58)53-19-10-22-56(45-53)64-29-13-17-51-15-2-4-25-62(51)64)59-42-36-49(37-43-59)54-20-11-23-60(46-54)70-67-30-7-5-26-65(67)66-27-6-8-31-68(66)70/h7,16,30,47-49,51-68H,1-6,8-15,17-29,31-46H2/t47?,48?,49?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62-,63?,64?,65?,66?,67?,68?/m0/s1
• InChIKey: KINDSQDKOHFZEU-XTAHEXEESA-N
• XLogP: 18.48
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.64
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

The IUPAC name of 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine (CID 155373629) is 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine.

What is the SMILES notation for 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

The canonical SMILES for 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine is C1=CC2C(CC1)C1CCCCC1N2C1CCCC(C2CCC(N(C3CCC(C4CCCC(C5CCC=C6CCCCC65)C4)CC3)C3CCC(C4CCCC(C5CCCC6CCCC[C@@H]65)C4)CC3)CC2)C1.

What is the InChIKey of 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

The InChIKey is KINDSQDKOHFZEU-XTAHEXEESA-N. The full InChI is InChI=1S/C68H110N2/c1-3-24-61-50(14-1)16-12-28-63(61)55-21-9-18-52(44-55)47-32-38-57(39-33-47)69(58-40-34-48(35-41-58)53-19-10-22-56(45-53)64-29-13-17-51-15-2-4-25-62(51)64)59-42-36-49(37-43-59)54-20-11-23-60(46-54)70-67-30-7-5-26-65(67)66-27-6-8-31-68(66)70/h7,16,30,47-49,51-68H,1-6,8-15,17-29,31-46H2/t47?,48?,49?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62-,63?,64?,65?,66?,67?,68?/m0/s1.

What are the key properties of 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine?

4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine has a molecular weight of 955.64 g/mol, XLogP of 18.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-N-[4-[3-(1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-9-yl)cyclohexyl]cyclohexyl]-N-[4-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexyl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 155373629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).