2-(cyclopentylamino)acetonitrile

• ChemBase ID: 277372
• Molecular Formular: C7H12N2
• Molecular Mass: 124.18358
• Monoisotopic Mass: 124.10004839
• SMILES: N#CCNC1CCCC1
• Canonical SMILES: N#CCNC1CCCC1
• InChI: InChI=1S/C7H12N2/c8-5-6-9-7-3-1-2-4-7/h7,9H,1-4,6H2
• InChIKey: WOBHGFXOOLANIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylamino)acetonitrile
• IUPAC Traditional name: 2-(cyclopentylamino)acetonitrile
• Synonyms: 2-(cyclopentylamino)acetonitrile

Database IDs

• MDL Number: MFCD11150337
• PubChem SID: 164333282
• PubChem CID: 28566361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -9.1119367E-4
• LogD (pH = 7.4): 0.67638963
• Log P: 0.6977556
• Molar Refractivity: 36.1705 cm^3
• Polarizability: 14.26212 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.431

Product Information

• Purity: 95%