(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine

C7H12N2 — CID 142057480

IUPAC(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine
SMILES[H]/N=C/C=C(\C=C)CNC
InChIInChI=1S/C7H12N2/c1-3-7(4-5-8)6-9-2/h3-5,8-9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyHBIFQCDFMILJFM-NSLJXJERSA-N
MW124.19 g/mol
LogP0.97
Rot. Bonds4

About (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine

(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine (PubChem CID 142057480) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine
PubChem CID142057480
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine
SMILES[H]/N=C/C=C(\C=C)CNC
InChIInChI=1S/C7H12N2/c1-3-7(4-5-8)6-9-2/h3-5,8-9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyHBIFQCDFMILJFM-NSLJXJERSA-N
XLogP0.97
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine?
The IUPAC name of (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine (CID 142057480) is (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine?
The canonical SMILES for (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine is [H]/N=C/C=C(\C=C)CNC.
What is the InChIKey of (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine?
The InChIKey is HBIFQCDFMILJFM-NSLJXJERSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(4-5-8)6-9-2/h3-5,8-9H,1,6H2,2H3/b7-4+,8-5+.
What are the key properties of (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine?
(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine is sourced from PubChem (CID 142057480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).