(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine

C7H12N2 — CID 134478563

IUPAC(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine
SMILESC=C/C(C)=N/C=C\NC
InChIInChI=1S/C7H12N2/c1-4-7(2)9-6-5-8-3/h4-6,8H,1H2,2-3H3/b6-5-,9-7+
InChIKeyHPHZXNWWFIOPIN-BZWSEGBZSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

About (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine

(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine (PubChem CID 134478563) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine.

Molecular Properties

Compound Name(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine
PubChem CID134478563
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine
SMILESC=C/C(C)=N/C=C\NC
InChIInChI=1S/C7H12N2/c1-4-7(2)9-6-5-8-3/h4-6,8H,1H2,2-3H3/b6-5-,9-7+
InChIKeyHPHZXNWWFIOPIN-BZWSEGBZSA-N
XLogP1.32
TPSA24.39 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 ≤ 51.32
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)-2-(but-3-en-2-ylideneamino)-N-methylethenamine?
The IUPAC name of (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine (CID 134478563) is (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine.
What is the SMILES notation for (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine?
The canonical SMILES for (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine is C=C/C(C)=N/C=C\NC.
What is the InChIKey of (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine?
The InChIKey is HPHZXNWWFIOPIN-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(2)9-6-5-8-3/h4-6,8H,1H2,2-3H3/b6-5-,9-7+.
What are the key properties of (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine?
(Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(but-3-en-2-ylideneamino)-N-methylethenamine is sourced from PubChem (CID 134478563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).