3-[(cyclobutylmethyl)amino]propanenitrile

• ChemBase ID: 270508
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: N#CCCNCC1CCC1
• Canonical SMILES: N#CCCNCC1CCC1
• InChI: InChI=1S/C8H14N2/c9-5-2-6-10-7-8-3-1-4-8/h8,10H,1-4,6-7H2
• InChIKey: SARFCDTUMALQJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(cyclobutylmethyl)amino]propanenitrile
• IUPAC Traditional name: 3-[(cyclobutylmethyl)amino]propanenitrile
• Synonyms: 3-[(cyclobutylmethyl)amino]propanenitrile

Database IDs

• MDL Number: MFCD11629602
• PubChem SID: 164326418
• PubChem CID: 43275364

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8608644
• LogD (pH = 7.4): -0.14355654
• Log P: 0.8052124
• Molar Refractivity: 40.9997 cm^3
• Polarizability: 16.10553 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.815

Product Information

• Purity: 95%