(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine

C9H16N2 — CID 138493466

IUPAC(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine
SMILESC=C(CC)/N=C/C=C\CNC
InChIInChI=1S/C9H16N2/c1-4-9(2)11-8-6-5-7-10-3/h5-6,8,10H,2,4,7H2,1,3H3/b6-5-,11-8+
InChIKeyUGDDJDCGYCZLPV-ZLQDEDOTSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds5

About (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine

(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine (PubChem CID 138493466) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine
PubChem CID138493466
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine
SMILESC=C(CC)/N=C/C=C\CNC
InChIInChI=1S/C9H16N2/c1-4-9(2)11-8-6-5-7-10-3/h5-6,8,10H,2,4,7H2,1,3H3/b6-5-,11-8+
InChIKeyUGDDJDCGYCZLPV-ZLQDEDOTSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
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-but-1-en-2-ylimino-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine (CID 138493466) is (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine is C=C(CC)/N=C/C=C\CNC.
What is the InChIKey of (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine?
The InChIKey is UGDDJDCGYCZLPV-ZLQDEDOTSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(2)11-8-6-5-7-10-3/h5-6,8,10H,2,4,7H2,1,3H3/b6-5-,11-8+.
What are the key properties of (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine?
(Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-but-1-en-2-ylimino-N-methylbut-2-en-1-amine is sourced from PubChem (CID 138493466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).