1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine

C₂₀H₄₀N₂ — CID 135171724

About 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine

1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine (PubChem CID 135171724) has the molecular formula C₂₀H₄₀N₂ and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine.

Molecular Properties

• Compound Name: 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
• PubChem CID: 135171724
• Molecular Formula: C₂₀H₄₀N₂
• Molecular Weight: 308.55 g/mol
• Exact Mass: 308.32
• IUPAC Name: 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
• SMILES: C=C(NC(C(=C)C)C(C)C(C)C)NC(C)(CCC)CCCC
• InChI: InChI=1S/C20H40N2/c1-10-12-14-20(9,13-11-2)22-18(8)21-19(16(5)6)17(7)15(3)4/h15,17,19,21-22H,5,8,10-14H2,1-4,6-7,9H3
• InChIKey: IESGKJKQYLCSIY-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	308.55
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 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine?

The IUPAC name of 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine (CID 135171724) is 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine.

What is the SMILES notation for 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine?

The canonical SMILES for 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine is C=C(NC(C(=C)C)C(C)C(C)C)NC(C)(CCC)CCCC.

What is the InChIKey of 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine?

The InChIKey is IESGKJKQYLCSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-10-12-14-20(9,13-11-2)22-18(8)21-19(16(5)6)17(7)15(3)4/h15,17,19,21-22H,5,8,10-14H2,1-4,6-7,9H3.

What are the key properties of 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine?

1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine has a molecular weight of 308.55 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 135171724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135171724 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.