N-(propan-2-yl)cyclopropanamine

• ChemBase ID: 264996
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: C1(CC1)NC(C)C
• Canonical SMILES: CC(NC1CC1)C
• InChI: InChI=1S/C6H13N/c1-5(2)7-6-3-4-6/h5-7H,3-4H2,1-2H3
• InChIKey: XWGXFOVSOYMSGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)cyclopropanamine
• IUPAC Traditional name: N-isopropylcyclopropanamine
• Synonyms: N-(propan-2-yl)cyclopropanamine

Database IDs

• MDL Number: MFCD09048261
• PubChem SID: 164320906
• PubChem CID: 10975533

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1842418
• LogD (pH = 7.4): -1.6951137
• Log P: 1.046069
• Molar Refractivity: 31.072 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.904

Product Information

• Purity: 95%