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

C25H48N4 — CID 67222771

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

4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;azane (PubChem CID 67222771) has the molecular formula C25H48N4 and a molecular weight of 404.69 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;azane.

Molecular Properties

• Compound Name: 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;azane
• PubChem CID: 67222771
• Molecular Formula: C25H48N4
• Molecular Weight: 404.69 g/mol
• Exact Mass: 404.39
• IUPAC Name: 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;azane
• SMILES: C=CCC1CC(CC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.N.N
• InChI: InChI=1S/C25H42N2.2H3N/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;2*1H3
• InChIKey: PZFPBQPKSKYANW-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 122.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.69
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

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;azane?

The IUPAC name of 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;azane (CID 67222771) is 4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;azane.

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;azane?

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

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;azane?

The InChIKey is PZFPBQPKSKYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2.2H3N/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;2*1H3.

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;azane?

4-[[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]methyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;azane has a molecular weight of 404.69 g/mol, XLogP of 5.94, 10 rotatable bonds, 4 hydrogen bond donors, and 4 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;azane is sourced from PubChem (CID 67222771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).