(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine

C13H23N3 — CID 174012726

IUPAC(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine
SMILESC=C/N=C(\CC(C)C/C=C/C)C(N)=C(C)N
InChIInChI=1S/C13H23N3/c1-5-7-8-10(3)9-12(16-6-2)13(15)11(4)14/h5-7,10H,2,8-9,14-15H2,1,3-4H3/b7-5+,13-11?,16-12+
InChIKeyDFQKUXUANGRMNE-YHDZTVOHSA-N
MW221.35 g/mol
LogP2.71
Rot. Bonds6

About (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine

(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine (PubChem CID 174012726) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine.

Molecular Properties

Compound Name(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine
PubChem CID174012726
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine
SMILESC=C/N=C(\CC(C)C/C=C/C)C(N)=C(C)N
InChIInChI=1S/C13H23N3/c1-5-7-8-10(3)9-12(16-6-2)13(15)11(4)14/h5-7,10H,2,8-9,14-15H2,1,3-4H3/b7-5+,13-11?,16-12+
InChIKeyDFQKUXUANGRMNE-YHDZTVOHSA-N
XLogP2.71
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-5-methyl-3,4-dihydro-2H-pyridin-6-yl)prop-1-en-2-amine
CID 173878957
(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
CID 89188349
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
(4-Methyliminocyclohex-2-en-1-yl)methanamine
CID 123703590
(3S)-5-[(Z)-2-aminoethenyl]imino-3-methylhex-1-en-2-amine
CID 126518760
5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
CID 129311820
(Z)-6-(6-methyl-2,3-dihydropyridin-3-yl)hex-1-en-1-amine
CID 130256409
(E)-2-ethyl-3-[(Z)-3-methylnon-6-enyl]iminopent-1-en-1-amine
CID 130442162
(Z)-1-[[(Z)-3-ethylhex-4-en-2-ylidene]amino]-4-methylpent-1-en-2-amine
CID 134345725

Frequently Asked Questions

What is the IUPAC name of (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine?
The IUPAC name of (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine (CID 174012726) is (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine.
What is the SMILES notation for (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine?
The canonical SMILES for (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine is C=C/N=C(\CC(C)C/C=C/C)C(N)=C(C)N.
What is the InChIKey of (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine?
The InChIKey is DFQKUXUANGRMNE-YHDZTVOHSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-8-10(3)9-12(16-6-2)13(15)11(4)14/h5-7,10H,2,8-9,14-15H2,1,3-4H3/b7-5+,13-11?,16-12+.
What are the key properties of (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine?
(8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-ethenylimino-6-methyldeca-2,8-diene-2,3-diamine is sourced from PubChem (CID 174012726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).