N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine

C58H100N4 — CID 140888731

About N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine

N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine (PubChem CID 140888731) has the molecular formula C58H100N4 and a molecular weight of 853.47 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
• PubChem CID: 140888731
• Molecular Formula: C58H100N4
• Molecular Weight: 853.47 g/mol
• Exact Mass: 852.79
• IUPAC Name: N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
• SMILES: C1CCC(C2CC(C3CCC(C4CCC(N5C6CCCCC6C6CC(C7CCC(N(C8CCCCC8)C8CCCCC8)CC7)CCC65)CC4)CC3)NC(C3CCCCC3)N2)CC1
• InChI: InChI=1S/C58H100N4/c1-5-15-44(16-6-1)54-40-55(60-58(59-54)46-17-7-2-8-18-46)45-27-25-41(26-28-45)42-29-36-51(37-30-42)62-56-24-14-13-23-52(56)53-39-47(33-38-57(53)62)43-31-34-50(35-32-43)61(48-19-9-3-10-20-48)49-21-11-4-12-22-49/h41-60H,1-40H2
• InChIKey: HBKQNBSQTDEANI-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 30.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.47
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine (CID 140888731) is N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine.

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

The canonical SMILES for N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine is C1CCC(C2CC(C3CCC(C4CCC(N5C6CCCCC6C6CC(C7CCC(N(C8CCCCC8)C8CCCCC8)CC7)CCC65)CC4)CC3)NC(C3CCCCC3)N2)CC1.

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

The InChIKey is HBKQNBSQTDEANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H100N4/c1-5-15-44(16-6-1)54-40-55(60-58(59-54)46-17-7-2-8-18-46)45-27-25-41(26-28-45)42-29-36-51(37-30-42)62-56-24-14-13-23-52(56)53-39-47(33-38-57(53)62)43-31-34-50(35-32-43)61(48-19-9-3-10-20-48)49-21-11-4-12-22-49/h41-60H,1-40H2.

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

N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine has a molecular weight of 853.47 g/mol, XLogP of 14.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dicyclohexyl-4-[9-[4-[4-(2,6-dicyclohexyl-1,3-diazinan-4-yl)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 140888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).