(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine

C10H18N2 — CID 142913403

IUPAC(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
SMILESC=CC(C)C(/N=C/C)=C(/C)NC
InChIInChI=1S/C10H18N2/c1-6-8(3)10(12-7-2)9(4)11-5/h6-8,11H,1H2,2-5H3/b10-9+,12-7+
InChIKeyJQPNUZLPIXNJBA-YQDZKPHZSA-N
MW166.27 g/mol
LogP2.35
Rot. Bonds4

About (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine

(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine (PubChem CID 142913403) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine.

Molecular Properties

Compound Name(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
PubChem CID142913403
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
SMILESC=CC(C)C(/N=C/C)=C(/C)NC
InChIInChI=1S/C10H18N2/c1-6-8(3)10(12-7-2)9(4)11-5/h6-8,11H,1H2,2-5H3/b10-9+,12-7+
InChIKeyJQPNUZLPIXNJBA-YQDZKPHZSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
CID 143366519
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 171630884
ethylideneurea;N-methylprop-2-enamide
CID 159487096
3,4,6-trimethylhepta-1,4-diene
CID 123908234
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
N-but-3-en-2-ylhydroxylamine
CID 18467379
N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349854
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
(2E)-N,5-dimethylhepta-2,6-dien-2-amine
CID 166992213

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine?
The IUPAC name of (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine (CID 142913403) is (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine.
What is the SMILES notation for (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine?
The canonical SMILES for (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine is C=CC(C)C(/N=C/C)=C(/C)NC.
What is the InChIKey of (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine?
The InChIKey is JQPNUZLPIXNJBA-YQDZKPHZSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(3)10(12-7-2)9(4)11-5/h6-8,11H,1H2,2-5H3/b10-9+,12-7+.
What are the key properties of (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine?
(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine is sourced from PubChem (CID 142913403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).