pent-3-en-2-amine

• ChemBase ID: 278843
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C(=C\C)/C(N)C
• Canonical SMILES: C/C=C/C(N)C
• InChI: InChI=1S/C5H11N/c1-3-4-5(2)6/h3-5H,6H2,1-2H3
• InChIKey: RJGNESAPBYJKKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pent-3-en-2-amine
• IUPAC Traditional name: pent-3-en-2-amine
• Synonyms: pent-3-en-2-amine

Database IDs

• MDL Number: MFCD19204788
• PubChem SID: 164334753
• PubChem CID: 13149669

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1047652
• LogD (pH = 7.4): -1.4606584
• Log P: 0.909001
• Molar Refractivity: 29.1738 cm^3
• Polarizability: 11.2655945 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.948

Product Information

• Purity: 95%