1-amino-2-methylcyclopentane-1-carbonitrile

• ChemBase ID: 248620
• Molecular Formular: C7H12N2
• Molecular Mass: 124.18358
• Monoisotopic Mass: 124.10004839
• SMILES: C1(C#N)(C(CCC1)C)N
• Canonical SMILES: N#CC1(N)CCCC1C
• InChI: InChI=1S/C7H12N2/c1-6-3-2-4-7(6,9)5-8/h6H,2-4,9H2,1H3
• InChIKey: RKOXJCKXFYXHQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2-methylcyclopentane-1-carbonitrile
• IUPAC Traditional name: 1-amino-2-methylcyclopentane-1-carbonitrile
• Synonyms: 1-amino-2-methylcyclopentane-1-carbonitrile

Database IDs

• MDL Number: MFCD19212537
• PubChem SID: 164304530
• PubChem CID: 15248097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7215721
• LogD (pH = 7.4): 0.68737733
• Log P: 0.85829514
• Molar Refractivity: 35.9073 cm^3
• Polarizability: 14.26212 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.509

Product Information

• Purity: 95%