(E)-4-ethenylimino-2-methylbut-2-en-1-amine

C7H12N2 — CID 89185833

IUPAC(E)-4-ethenylimino-2-methylbut-2-en-1-amine
SMILESC=C/N=C/C=C(\C)CN
InChIInChI=1S/C7H12N2/c1-3-9-5-4-7(2)6-8/h3-5H,1,6,8H2,2H3/b7-4+,9-5+
InChIKeyCOPYQVFKIJLNNW-XCIOYXGDSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds3

About (E)-4-ethenylimino-2-methylbut-2-en-1-amine

(E)-4-ethenylimino-2-methylbut-2-en-1-amine (PubChem CID 89185833) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-4-ethenylimino-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-ethenylimino-2-methylbut-2-en-1-amine
PubChem CID89185833
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-4-ethenylimino-2-methylbut-2-en-1-amine
SMILESC=C/N=C/C=C(\C)CN
InChIInChI=1S/C7H12N2/c1-3-9-5-4-7(2)6-8/h3-5H,1,6,8H2,2H3/b7-4+,9-5+
InChIKeyCOPYQVFKIJLNNW-XCIOYXGDSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
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 (E)-4-ethenylimino-2-methylbut-2-en-1-amine?
The IUPAC name of (E)-4-ethenylimino-2-methylbut-2-en-1-amine (CID 89185833) is (E)-4-ethenylimino-2-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-ethenylimino-2-methylbut-2-en-1-amine?
The canonical SMILES for (E)-4-ethenylimino-2-methylbut-2-en-1-amine is C=C/N=C/C=C(\C)CN.
What is the InChIKey of (E)-4-ethenylimino-2-methylbut-2-en-1-amine?
The InChIKey is COPYQVFKIJLNNW-XCIOYXGDSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-9-5-4-7(2)6-8/h3-5H,1,6,8H2,2H3/b7-4+,9-5+.
What are the key properties of (E)-4-ethenylimino-2-methylbut-2-en-1-amine?
(E)-4-ethenylimino-2-methylbut-2-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethenylimino-2-methylbut-2-en-1-amine is sourced from PubChem (CID 89185833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).