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

C20H40N2 — CID 135171724

IUPAC1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(NC(C(=C)C)C(C)C(C)C)NC(C)(CCC)CCCC
InChIInChI=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
InChIKeyIESGKJKQYLCSIY-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.62
Rot. Bonds12

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 Name1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
PubChem CID135171724
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(NC(C(=C)C)C(C)C(C)C)NC(C)(CCC)CCCC
InChIInChI=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
InChIKeyIESGKJKQYLCSIY-UHFFFAOYSA-N
XLogP5.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).