cyclopent-3-en-1-amine

• ChemBase ID: 278914
• Molecular Formular: C5H9N
• Molecular Mass: 83.13166
• Monoisotopic Mass: 83.07349929
• SMILES: C1=CCC(N)C1
• Canonical SMILES: NC1CC=CC1
• InChI: InChI=1S/C5H9N/c6-5-3-1-2-4-5/h1-2,5H,3-4,6H2
• InChIKey: LJSBEPFUQWPNBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-3-en-1-amine
• IUPAC Traditional name: cyclopent-3-en-1-amine
• Synonyms: cyclopent-3-en-1-amine

Database IDs

• MDL Number: MFCD00798155
• PubChem SID: 164334824
• PubChem CID: 2756396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6596458
• LogD (pH = 7.4): -2.3370786
• Log P: 0.36732134
• Molar Refractivity: 27.4486 cm^3
• Polarizability: 10.519826 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.324

Product Information

• Purity: 95%