3-cyclopentylpropan-1-amine

• ChemBase ID: 254789
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: NCCCC1CCCC1
• Canonical SMILES: NCCCC1CCCC1
• InChI: InChI=1S/C8H17N/c9-7-3-6-8-4-1-2-5-8/h8H,1-7,9H2
• InChIKey: NJSZQKRASZHMDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopentylpropan-1-amine
• IUPAC Traditional name: 3-cyclopentylpropan-1-amine
• Synonyms: (3-cyclopentylpropyl)amine; 3-cyclopentylpropan-1-amine

Database IDs

• CAS Number: 6053-58-3
• MDL Number: MFCD09055309
• PubChem SID: 164310699
• PubChem CID: 22237512

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1685425
• LogD (pH = 7.4): -0.7485815
• Log P: 1.8554393
• Molar Refractivity: 40.3418 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.485

Product Information

• Purity: 95%