(1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine

C29H55N3 — CID 70233333

About (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine

(1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine (PubChem CID 70233333) has the molecular formula C29H55N3 and a molecular weight of 445.78 g/mol. Its IUPAC name is (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine.

Molecular Properties

• Compound Name: (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine
• PubChem CID: 70233333
• Molecular Formula: C29H55N3
• Molecular Weight: 445.78 g/mol
• Exact Mass: 445.44
• IUPAC Name: (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine
• SMILES: CC[C@@H](N[C@H](C)C1CNC(C)NC1)C1CC(C(C)CCC(C)C)=CC(C2CCCCC2)C1
• InChI: InChI=1S/C29H55N3/c1-7-29(32-22(5)28-18-30-23(6)31-19-28)27-16-25(21(4)14-13-20(2)3)15-26(17-27)24-11-9-8-10-12-24/h15,20-24,26-32H,7-14,16-19H2,1-6H3/t21?,22-,23?,26?,27?,28?,29-/m1/s1
• InChIKey: LOGUOANQJCCBLA-MZVBIMEOSA-N
• XLogP: 6.50
• TPSA: 36.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.78
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine?

The IUPAC name of (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine (CID 70233333) is (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine.

What is the SMILES notation for (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine?

The canonical SMILES for (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine is CC[C@@H](N[C@H](C)C1CNC(C)NC1)C1CC(C(C)CCC(C)C)=CC(C2CCCCC2)C1.

What is the InChIKey of (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine?

The InChIKey is LOGUOANQJCCBLA-MZVBIMEOSA-N. The full InChI is InChI=1S/C29H55N3/c1-7-29(32-22(5)28-18-30-23(6)31-19-28)27-16-25(21(4)14-13-20(2)3)15-26(17-27)24-11-9-8-10-12-24/h15,20-24,26-32H,7-14,16-19H2,1-6H3/t21?,22-,23?,26?,27?,28?,29-/m1/s1.

What are the key properties of (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine?

(1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine has a molecular weight of 445.78 g/mol, XLogP of 6.50, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-cyclohexyl-3-(5-methylhexan-2-yl)cyclohex-3-en-1-yl]-N-[(1R)-1-(2-methyl-1,3-diazinan-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 70233333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).