1-(methylamino)cyclopentane-1-carbonitrile

• ChemBase ID: 265425
• Molecular Formular: C7H12N2
• Molecular Mass: 124.18358
• Monoisotopic Mass: 124.10004839
• SMILES: N#CC1(NC)CCCC1
• Canonical SMILES: CNC1(CCCC1)C#N
• InChI: InChI=1S/C7H12N2/c1-9-7(6-8)4-2-3-5-7/h9H,2-5H2,1H3
• InChIKey: KNIPASVZFLFVSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methylamino)cyclopentane-1-carbonitrile
• IUPAC Traditional name: 1-(methylamino)cyclopentane-1-carbonitrile
• Synonyms: 1-(methylamino)cyclopentane-1-carbonitrile

Database IDs

• MDL Number: MFCD00040167
• PubChem SID: 164321335
• PubChem CID: 12945445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19474027
• LogD (pH = 7.4): 0.9025113
• Log P: 0.9259027
• Molar Refractivity: 36.2103 cm^3
• Polarizability: 14.26212 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.331

Product Information

• Purity: 95%