1-(2-methylpropyl)cyclopentane-1-carbonitrile

• ChemBase ID: 238036
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: N#CC1(CC(C)C)CCCC1
• Canonical SMILES: CC(CC1(CCCC1)C#N)C
• InChI: InChI=1S/C10H17N/c1-9(2)7-10(8-11)5-3-4-6-10/h9H,3-7H2,1-2H3
• InChIKey: BLNHGAWYLMGYDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)cyclopentane-1-carbonitrile
• IUPAC Traditional name: 1-(2-methylpropyl)cyclopentane-1-carbonitrile
• Synonyms: 1-(2-methylpropyl)cyclopentane-1-carbonitrile

Database IDs

• MDL Number: MFCD21227570
• PubChem SID: 164293946
• PubChem CID: 65378686

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2357075
• LogD (pH = 7.4): 3.2357075
• Log P: 3.2357075
• Molar Refractivity: 46.4758 cm^3
• Polarizability: 18.27094 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.054

Product Information

• Purity: 95%