N-cyclopropylcyclohexanamine

• ChemBase ID: 255534
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C1(CC1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NC1CC1
• InChI: InChI=1S/C9H17N/c1-2-4-8(5-3-1)10-9-6-7-9/h8-10H,1-7H2
• InChIKey: MCQSVVAOVRESQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylcyclohexanamine
• IUPAC Traditional name: N-cyclopropylcyclohexanamine
• Synonyms: N-cyclohexyl-N-cyclopropylamine; N-cyclopropylcyclohexanamine

Database IDs

• CAS Number: 874-64-6
• MDL Number: MFCD09802453
• PubChem SID: 164311444
• PubChem CID: 20114456

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1618328
• LogD (pH = 7.4): -0.7688861
• Log P: 2.0719566
• Molar Refractivity: 42.9188 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.867

Product Information

• Purity: 95%