1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine

C37H65N3 — CID 143360069

About 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine

1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine (PubChem CID 143360069) has the molecular formula C37H65N3 and a molecular weight of 551.95 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine.

Molecular Properties

• Compound Name: 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine
• PubChem CID: 143360069
• Molecular Formula: C37H65N3
• Molecular Weight: 551.95 g/mol
• Exact Mass: 551.52
• IUPAC Name: 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine
• SMILES: C=C(N)C(=C)C(C)CC1CC1.C=C(NC1CCCCC1)NC(C(=C)C(C)C(CCCC)C(=C)C)C1CCCCC1
• InChI: InChI=1S/C27H48N2.C10H17N/c1-7-8-19-26(20(2)3)21(4)22(5)27(24-15-11-9-12-16-24)29-23(6)28-25-17-13-10-14-18-25;1-7(6-10-4-5-10)8(2)9(3)11/h21,24-29H,2,5-19H2,1,3-4H3;7,10H,2-6,11H2,1H3
• InChIKey: KJBLNULUOXMVEP-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 50.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.95
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine?

The IUPAC name of 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine (CID 143360069) is 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine.

What is the SMILES notation for 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine?

The canonical SMILES for 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine is C=C(N)C(=C)C(C)CC1CC1.C=C(NC1CCCCC1)NC(C(=C)C(C)C(CCCC)C(=C)C)C1CCCCC1.

What is the InChIKey of 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine?

The InChIKey is KJBLNULUOXMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2.C10H17N/c1-7-8-19-26(20(2)3)21(4)22(5)27(24-15-11-9-12-16-24)29-23(6)28-25-17-13-10-14-18-25;1-7(6-10-4-5-10)8(2)9(3)11/h21,24-29H,2,5-19H2,1,3-4H3;7,10H,2-6,11H2,1H3.

What are the key properties of 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine?

1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine has a molecular weight of 551.95 g/mol, XLogP of 9.94, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-cyclohexyl-1-N'-(1-cyclohexyl-3-methyl-2-methylidene-4-prop-1-en-2-yloctyl)ethene-1,1-diamine;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine is sourced from PubChem (CID 143360069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).