N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine

C26H37N — CID 71234846

About N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine

N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 71234846) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

• Compound Name: N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine
• PubChem CID: 71234846
• Molecular Formula: C26H37N
• Molecular Weight: 363.59 g/mol
• Exact Mass: 363.29
• IUPAC Name: N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine
• SMILES: CC1C=C(NC2CC(C)C=CC2C2CCC=C(C3C=CCCC3)C2)C=CC1
• InChI: InChI=1S/C26H37N/c1-19-8-6-13-24(16-19)27-26-17-20(2)14-15-25(26)23-12-7-11-22(18-23)21-9-4-3-5-10-21/h4,6,9,11,13-16,19-21,23,25-27H,3,5,7-8,10,12,17-18H2,1-2H3
• InChIKey: PSVPSNAWQAMKBN-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.59
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine?

The IUPAC name of N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine (CID 71234846) is N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine.

What is the SMILES notation for N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine?

The canonical SMILES for N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine is CC1C=C(NC2CC(C)C=CC2C2CCC=C(C3C=CCCC3)C2)C=CC1.

What is the InChIKey of N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine?

The InChIKey is PSVPSNAWQAMKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-19-8-6-13-24(16-19)27-26-17-20(2)14-15-25(26)23-12-7-11-22(18-23)21-9-4-3-5-10-21/h4,6,9,11,13-16,19-21,23,25-27H,3,5,7-8,10,12,17-18H2,1-2H3.

What are the key properties of N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine?

N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 363.59 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-cyclohex-2-en-1-ylcyclohex-3-en-1-yl)-5-methylcyclohex-3-en-1-yl]-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 71234846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).