4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane

C66H130N8 — CID 158648175

About 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane

4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane (PubChem CID 158648175) has the molecular formula C66H130N8 and a molecular weight of 1035.82 g/mol. Its IUPAC name is 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane.

Molecular Properties

• Compound Name: 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane
• PubChem CID: 158648175
• Molecular Formula: C66H130N8
• Molecular Weight: 1035.82 g/mol
• Exact Mass: 1035.04
• IUPAC Name: 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane
• SMILES: CCCCCCCC.CN(CCCCCCNC1CC(C)(C)CC(C)(C)C1)C1CC(C)(C)CC(C)(C)C1.CNc1nc(C)nc(N(CCCCCCNC2CC(C)(C)CC(C)(C)C2)C2CC(C)(C)CC(C)(C)C2)n1
• InChI: InChI=1S/C31H58N6.C27H54N2.C8H18/c1-23-34-26(32-10)36-27(35-23)37(25-19-30(6,7)22-31(8,9)20-25)16-14-12-11-13-15-33-24-17-28(2,3)21-29(4,5)18-24;1-24(2)16-22(17-25(3,4)20-24)28-14-12-10-11-13-15-29(9)23-18-26(5,6)21-27(7,8)19-23;1-3-5-7-8-6-4-2/h24-25,33H,11-22H2,1-10H3,(H,32,34,35,36);22-23,28H,10-21H2,1-9H3;3-8H2,1-2H3
• InChIKey: IBFKKRGYPLLFKG-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 81.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.82
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane?

The IUPAC name of 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane (CID 158648175) is 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane.

What is the SMILES notation for 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane?

The canonical SMILES for 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane is CCCCCCCC.CN(CCCCCCNC1CC(C)(C)CC(C)(C)C1)C1CC(C)(C)CC(C)(C)C1.CNc1nc(C)nc(N(CCCCCCNC2CC(C)(C)CC(C)(C)C2)C2CC(C)(C)CC(C)(C)C2)n1.

What is the InChIKey of 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane?

The InChIKey is IBFKKRGYPLLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N6.C27H54N2.C8H18/c1-23-34-26(32-10)36-27(35-23)37(25-19-30(6,7)22-31(8,9)20-25)16-14-12-11-13-15-33-24-17-28(2,3)21-29(4,5)18-24;1-24(2)16-22(17-25(3,4)20-24)28-14-12-10-11-13-15-29(9)23-18-26(5,6)21-27(7,8)19-23;1-3-5-7-8-6-4-2/h24-25,33H,11-22H2,1-10H3,(H,32,34,35,36);22-23,28H,10-21H2,1-9H3;3-8H2,1-2H3.

What are the key properties of 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane?

4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane has a molecular weight of 1035.82 g/mol, XLogP of 18.03, 25 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane is sourced from PubChem (CID 158648175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).