1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine

C20H38N2 — CID 143359233

IUPAC1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(C)CCC(NC(=C)NC(C(=C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H38N2/c1-14(2)12-13-17(19(6,7)8)21-16(5)22-18(15(3)4)20(9,10)11/h17-18,21-22H,1,3,5,12-13H2,2,4,6-11H3
InChIKeyVGULHMHOSVAEQU-UHFFFAOYSA-N
MW306.54 g/mol
LogP5.40
Rot. Bonds8

About 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine

1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine (PubChem CID 143359233) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
PubChem CID143359233
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(C)CCC(NC(=C)NC(C(=C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H38N2/c1-14(2)12-13-17(19(6,7)8)21-16(5)22-18(15(3)4)20(9,10)11/h17-18,21-22H,1,3,5,12-13H2,2,4,6-11H3
InChIKeyVGULHMHOSVAEQU-UHFFFAOYSA-N
XLogP5.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine
CID 129109537
1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine
CID 130439995
1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
CID 135171724
N-(5,5-dimethylhex-1-en-2-yl)-N'-(4,4-dimethylpent-1-en-2-yl)methanediamine
CID 138736623
5-N-tert-butyl-2-N,7,7-trimethyl-6-methylidene-2-N-(2,2,8,8-tetramethyl-3,7-dimethylidenenonan-4-yl)oct-1-ene-2,5-diamine
CID 139428116
2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine
CID 139454047
butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
CID 143359232
5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine
CID 166731184
1-N-ethenyl-7,7-dimethyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
CID 166931385
2-[1,1-bis(prop-1-en-2-yl)but-3-enyl]-4-N-[1-(methylamino)ethyl]-3-propan-2-ylpentane-1,4-diamine
CID 169579733
5-methyl-1-N-[1-(methylamino)ethenyl]hex-5-ene-1,4-diamine
CID 169918431
1-N-(2,4-dimethylidenecyclopentyl)-1-N'-(2-methyl-5-methylidenehept-1-en-4-yl)ethene-1,1-diamine
CID 169984003

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine (CID 143359233) is 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine is C=C(C)CCC(NC(=C)NC(C(=C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The InChIKey is VGULHMHOSVAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-14(2)12-13-17(19(6,7)8)21-16(5)22-18(15(3)4)20(9,10)11/h17-18,21-22H,1,3,5,12-13H2,2,4,6-11H3.
What are the key properties of 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine has a molecular weight of 306.54 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 143359233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).