(Z)-4-methylphosphanylbut-1-en-1-amine

C5H12NP — CID 130450384

IUPAC(Z)-4-methylphosphanylbut-1-en-1-amine
SMILESCPCC/C=C\N
InChIInChI=1S/C5H12NP/c1-7-5-3-2-4-6/h2,4,7H,3,5-6H2,1H3/b4-2-
InChIKeyIWQBIGYCCSZBMA-RQOWECAXSA-N
MW117.13 g/mol
LogP1.16
Rot. Bonds3

About (Z)-4-methylphosphanylbut-1-en-1-amine

(Z)-4-methylphosphanylbut-1-en-1-amine (PubChem CID 130450384) has the molecular formula C5H12NP and a molecular weight of 117.13 g/mol. Its IUPAC name is (Z)-4-methylphosphanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methylphosphanylbut-1-en-1-amine
PubChem CID130450384
Molecular FormulaC5H12NP
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC Name(Z)-4-methylphosphanylbut-1-en-1-amine
SMILESCPCC/C=C\N
InChIInChI=1S/C5H12NP/c1-7-5-3-2-4-6/h2,4,7H,3,5-6H2,1H3/b4-2-
InChIKeyIWQBIGYCCSZBMA-RQOWECAXSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-methylphosphanylbut-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylphosphanylbut-1-en-1-amine?
The IUPAC name of (Z)-4-methylphosphanylbut-1-en-1-amine (CID 130450384) is (Z)-4-methylphosphanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-4-methylphosphanylbut-1-en-1-amine?
The canonical SMILES for (Z)-4-methylphosphanylbut-1-en-1-amine is CPCC/C=C\N.
What is the InChIKey of (Z)-4-methylphosphanylbut-1-en-1-amine?
The InChIKey is IWQBIGYCCSZBMA-RQOWECAXSA-N. The full InChI is InChI=1S/C5H12NP/c1-7-5-3-2-4-6/h2,4,7H,3,5-6H2,1H3/b4-2-.
What are the key properties of (Z)-4-methylphosphanylbut-1-en-1-amine?
(Z)-4-methylphosphanylbut-1-en-1-amine has a molecular weight of 117.13 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylphosphanylbut-1-en-1-amine is sourced from PubChem (CID 130450384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).