(Z)-4-ethylimino-N-methylbut-2-en-2-amine

C7H14N2 — CID 89130013

IUPAC(Z)-4-ethylimino-N-methylbut-2-en-2-amine
SMILESCC/N=C/C=C(/C)NC
InChIInChI=1S/C7H14N2/c1-4-9-6-5-7(2)8-3/h5-6,8H,4H2,1-3H3/b7-5-,9-6+
InChIKeyYPOTVOKSRSRANX-XCZNYUDNSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds3

About (Z)-4-ethylimino-N-methylbut-2-en-2-amine

(Z)-4-ethylimino-N-methylbut-2-en-2-amine (PubChem CID 89130013) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-4-ethylimino-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethylimino-N-methylbut-2-en-2-amine
PubChem CID89130013
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-4-ethylimino-N-methylbut-2-en-2-amine
SMILESCC/N=C/C=C(/C)NC
InChIInChI=1S/C7H14N2/c1-4-9-6-5-7(2)8-3/h5-6,8H,4H2,1-3H3/b7-5-,9-6+
InChIKeyYPOTVOKSRSRANX-XCZNYUDNSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethylimino-N-methylbut-2-en-2-amine?
The IUPAC name of (Z)-4-ethylimino-N-methylbut-2-en-2-amine (CID 89130013) is (Z)-4-ethylimino-N-methylbut-2-en-2-amine.
What is the SMILES notation for (Z)-4-ethylimino-N-methylbut-2-en-2-amine?
The canonical SMILES for (Z)-4-ethylimino-N-methylbut-2-en-2-amine is CC/N=C/C=C(/C)NC.
What is the InChIKey of (Z)-4-ethylimino-N-methylbut-2-en-2-amine?
The InChIKey is YPOTVOKSRSRANX-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-9-6-5-7(2)8-3/h5-6,8H,4H2,1-3H3/b7-5-,9-6+.
What are the key properties of (Z)-4-ethylimino-N-methylbut-2-en-2-amine?
(Z)-4-ethylimino-N-methylbut-2-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethylimino-N-methylbut-2-en-2-amine is sourced from PubChem (CID 89130013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).