N-(cyclohexylmethyl)cyclopropanamine

• ChemBase ID: 261270
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C1(CC1)NCC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CNC1CC1
• InChI: InChI=1S/C10H19N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h9-11H,1-8H2
• InChIKey: ZJWLQXHJCALARN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(cyclohexylmethyl)cyclopropanamine
• Synonyms: N-(cyclohexylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD01734764
• PubChem SID: 164317180
• PubChem CID: 202172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8461871
• LogD (pH = 7.4): -0.43401277
• Log P: 2.3869693
• Molar Refractivity: 47.6496 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 41°C
• Hydrophobicity(logP): 2.716

Product Information

• Purity: 95%