4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine

C25H42N2 — CID 66693402

About 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine

4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 66693402) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

• Compound Name: 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
• PubChem CID: 66693402
• Molecular Formula: C25H42N2
• Molecular Weight: 370.63 g/mol
• Exact Mass: 370.33
• IUPAC Name: 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
• SMILES: C=CCC1CC(CC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
• InChI: InChI=1S/C25H42N2/c1-5-9-20-14-18(15-21(10-6-2)24(20)26)13-19-16-22(11-7-3)25(27)23(17-19)12-8-4/h5-8,18-25H,1-4,9-17,26-27H2
• InChIKey: PJOCXKIDEZEXBV-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.63
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
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-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?

The IUPAC name of 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (CID 66693402) is 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.

What is the SMILES notation for 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?

The canonical SMILES for 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is C=CCC1CC(CC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.

What is the InChIKey of 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?

The InChIKey is PJOCXKIDEZEXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-5-9-20-14-18(15-21(10-6-2)24(20)26)13-19-16-22(11-7-3)25(27)23(17-19)12-8-4/h5-8,18-25H,1-4,9-17,26-27H2.

What are the key properties of 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?

4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 370.63 g/mol, XLogP of 5.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 66693402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).