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

C8H14N2 — CID 144791965

IUPAC2-ethenylimino-N-ethylbut-3-en-1-amine
SMILESC=C/N=C(\C=C)CNCC
InChIInChI=1S/C8H14N2/c1-4-8(10-6-3)7-9-5-2/h4,6,9H,1,3,5,7H2,2H3/b10-8+
InChIKeyONQSTEVEWGLDFZ-CSKARUKUSA-N
MW138.21 g/mol
LogP1.37
Rot. Bonds5

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

2-ethenylimino-N-ethylbut-3-en-1-amine (PubChem CID 144791965) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethenylimino-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-ethenylimino-N-ethylbut-3-en-1-amine
PubChem CID144791965
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-ethenylimino-N-ethylbut-3-en-1-amine
SMILESC=C/N=C(\C=C)CNCC
InChIInChI=1S/C8H14N2/c1-4-8(10-6-3)7-9-5-2/h4,6,9H,1,3,5,7H2,2H3/b10-8+
InChIKeyONQSTEVEWGLDFZ-CSKARUKUSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.37
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

1,3-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
3-methyl-2-methylidene-1H-pyrazine
CID 12756597
4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
6-methyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
CID 58333857
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-2-(but-3-en-2-ylideneamino)ethenamine
CID 88558951
2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
CID 89129347
(Z)-N-methyl-4-(prop-2-enylideneamino)but-3-en-1-amine
CID 89185742
(Z)-3-ethyliminobut-1-en-1-amine
CID 89360099
1-(4H-azepin-7-yl)-N-methylmethanamine
CID 91307733
N-methyl-2-[(E)-3-(methylamino)prop-1-enyl]iminobut-3-en-1-amine
CID 122522672

Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N-ethylbut-3-en-1-amine?
The IUPAC name of 2-ethenylimino-N-ethylbut-3-en-1-amine (CID 144791965) is 2-ethenylimino-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 2-ethenylimino-N-ethylbut-3-en-1-amine?
The canonical SMILES for 2-ethenylimino-N-ethylbut-3-en-1-amine is C=C/N=C(\C=C)CNCC.
What is the InChIKey of 2-ethenylimino-N-ethylbut-3-en-1-amine?
The InChIKey is ONQSTEVEWGLDFZ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(10-6-3)7-9-5-2/h4,6,9H,1,3,5,7H2,2H3/b10-8+.
What are the key properties of 2-ethenylimino-N-ethylbut-3-en-1-amine?
2-ethenylimino-N-ethylbut-3-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 144791965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).