2-ethenylimino-N-methylbut-3-en-1-amine

C7H12N2 — CID 142908110

IUPAC2-ethenylimino-N-methylbut-3-en-1-amine
SMILESC=C/N=C(\C=C)CNC
InChIInChI=1S/C7H12N2/c1-4-7(6-8-3)9-5-2/h4-5,8H,1-2,6H2,3H3/b9-7+
InChIKeyWRESZOSLPYWRTR-VQHVLOKHSA-N
MW124.19 g/mol
LogP0.98
Rot. Bonds4

About 2-ethenylimino-N-methylbut-3-en-1-amine

2-ethenylimino-N-methylbut-3-en-1-amine (PubChem CID 142908110) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-ethenylimino-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-ethenylimino-N-methylbut-3-en-1-amine
PubChem CID142908110
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-ethenylimino-N-methylbut-3-en-1-amine
SMILESC=C/N=C(\C=C)CNC
InChIInChI=1S/C7H12N2/c1-4-7(6-8-3)9-5-2/h4-5,8H,1-2,6H2,3H3/b9-7+
InChIKeyWRESZOSLPYWRTR-VQHVLOKHSA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyridin-4(1H)-imine
CID 817189
1-ethylpyridin-4(1H)-imine
CID 657409
(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
CID 135268079
(Z)-3-(1-fluoropropan-2-ylimino)but-1-en-1-amine
CID 168935877
4-Amino-2-methyliminobut-3-enimidoyl fluoride
CID 174114701
3-Diazodihydropyrrole
CID 129751661
1,3-Dihydropyridin-1-ium-3-id-4-ylidene(dimethyl)azanium
CID 146164163
3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
CID 176706612
1-propylpyridin-4(1H)-imine
CID 689770
3-methyl-2-methylidene-1H-pyrazine
CID 12756597
N-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
N-methyl-3-methyliminobut-1-en-2-amine
CID 58898686

Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N-methylbut-3-en-1-amine?
The IUPAC name of 2-ethenylimino-N-methylbut-3-en-1-amine (CID 142908110) is 2-ethenylimino-N-methylbut-3-en-1-amine.
What is the SMILES notation for 2-ethenylimino-N-methylbut-3-en-1-amine?
The canonical SMILES for 2-ethenylimino-N-methylbut-3-en-1-amine is C=C/N=C(\C=C)CNC.
What is the InChIKey of 2-ethenylimino-N-methylbut-3-en-1-amine?
The InChIKey is WRESZOSLPYWRTR-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(6-8-3)9-5-2/h4-5,8H,1-2,6H2,3H3/b9-7+.
What are the key properties of 2-ethenylimino-N-methylbut-3-en-1-amine?
2-ethenylimino-N-methylbut-3-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-methylbut-3-en-1-amine is sourced from PubChem (CID 142908110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).