(E)-pent-3-en-2-amine

C5H11N — CID 13149669

IUPAC(E)-pent-3-en-2-amine
SMILESC/C=C/C(C)N
InChIInChI=1S/C5H11N/c1-3-4-5(2)6/h3-5H,6H2,1-2H3/b4-3+
InChIKeyRJGNESAPBYJKKF-ONEGZZNKSA-N
MW85.15 g/mol
LogP0.91
Rot. Bonds1

About (E)-pent-3-en-2-amine

(E)-pent-3-en-2-amine (PubChem CID 13149669) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is (E)-pent-3-en-2-amine.

Molecular Properties

Compound Name(E)-pent-3-en-2-amine
PubChem CID13149669
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name(E)-pent-3-en-2-amine
SMILESC/C=C/C(C)N
InChIInChI=1S/C5H11N/c1-3-4-5(2)6/h3-5H,6H2,1-2H3/b4-3+
InChIKeyRJGNESAPBYJKKF-ONEGZZNKSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-pent-3-en-2-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 (E)-pent-3-en-2-amine?
The IUPAC name of (E)-pent-3-en-2-amine (CID 13149669) is (E)-pent-3-en-2-amine.
What is the SMILES notation for (E)-pent-3-en-2-amine?
The canonical SMILES for (E)-pent-3-en-2-amine is C/C=C/C(C)N.
What is the InChIKey of (E)-pent-3-en-2-amine?
The InChIKey is RJGNESAPBYJKKF-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11N/c1-3-4-5(2)6/h3-5H,6H2,1-2H3/b4-3+.
What are the key properties of (E)-pent-3-en-2-amine?
(E)-pent-3-en-2-amine has a molecular weight of 85.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-3-en-2-amine is sourced from PubChem (CID 13149669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).