1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine

C23H44N2 — CID 143358144

IUPAC1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine
SMILESC=C(C)CC(NC(=C)NC(CC(C)C(=C)CC)C(C)C)C(C)(C)CC
InChIInChI=1S/C23H44N2/c1-12-18(7)19(8)15-21(17(5)6)24-20(9)25-22(14-16(3)4)23(10,11)13-2/h17,19,21-22,24-25H,3,7,9,12-15H2,1-2,4-6,8,10-11H3
InChIKeyYGVRAWRADAQWQX-UHFFFAOYSA-N
MW348.62 g/mol
LogP6.42
Rot. Bonds13

About 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine

1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine (PubChem CID 143358144) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine
PubChem CID143358144
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine
SMILESC=C(C)CC(NC(=C)NC(CC(C)C(=C)CC)C(C)C)C(C)(C)CC
InChIInChI=1S/C23H44N2/c1-12-18(7)19(8)15-21(17(5)6)24-20(9)25-22(14-16(3)4)23(10,11)13-2/h17,19,21-22,24-25H,3,7,9,12-15H2,1-2,4-6,8,10-11H3
InChIKeyYGVRAWRADAQWQX-UHFFFAOYSA-N
XLogP6.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 135244663
(E)-N'-(1-aminoethenyl)-N-(2-ethenylpent-4-enyl)-2-ethyl-6-methylhept-1-ene-1,7-diamine
CID 91508740
N,5,5,6,6,8-hexamethyl-7-methylidenenonan-4-amine
CID 123979967
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine
CID 129109537
N,3,6,8-tetramethyl-5-methylidene-6-propan-2-ylnonan-2-amine
CID 129154789
1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
CID 134171508
(3S,9S)-N,3,4,5,6,6,7,8,9-nonamethyl-10-methylidenedodecan-2-amine
CID 134250206
N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine
CID 134368729
1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
CID 134482330
1-N'-(4-methyloctan-4-yl)-1-N-(2,4,5-trimethylhex-1-en-3-yl)ethene-1,1-diamine
CID 135171724
N-ethyl-2-(1-methylcycloheptyl)-5-prop-1-en-2-ylazepan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine (CID 143358144) is 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine is C=C(C)CC(NC(=C)NC(CC(C)C(=C)CC)C(C)C)C(C)(C)CC.
What is the InChIKey of 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine?
The InChIKey is YGVRAWRADAQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-12-18(7)19(8)15-21(17(5)6)24-20(9)25-22(14-16(3)4)23(10,11)13-2/h17,19,21-22,24-25H,3,7,9,12-15H2,1-2,4-6,8,10-11H3.
What are the key properties of 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine?
1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine has a molecular weight of 348.62 g/mol, XLogP of 6.42, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine is sourced from PubChem (CID 143358144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).