1-cyclohexylcyclopropan-1-amine

• ChemBase ID: 308326
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C1(CC1)(C1CCCCC1)N
• Canonical SMILES: NC1(CC1)C1CCCCC1
• InChI: InChI=1S/C9H17N/c10-9(6-7-9)8-4-2-1-3-5-8/h8H,1-7,10H2
• InChIKey: HXCXNQLYGHWDNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylcyclopropan-1-amine
• IUPAC Traditional name: 1-cyclohexylcyclopropan-1-amine
• Synonyms: (1-cyclohexylcyclopropyl)amine

Database IDs

• CAS Number: 388095-20-3
• MDL Number: MFCD09054982

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1480513
• LogD (pH = 7.4): -0.7985215
• Log P: 1.8781576
• Molar Refractivity: 42.7646 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2