3-cyclopropylcyclohexan-1-amine

• ChemBase ID: 277922
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: NC1CC(C2CC2)CCC1
• Canonical SMILES: NC1CCCC(C1)C1CC1
• InChI: InChI=1S/C9H17N/c10-9-3-1-2-8(6-9)7-4-5-7/h7-9H,1-6,10H2
• InChIKey: HMQZOXXSWCKCAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylcyclohexan-1-amine
• IUPAC Traditional name: 3-cyclopropylcyclohexan-1-amine
• Synonyms: 3-cyclopropylcyclohexanamine

Database IDs

• MDL Number: MFCD19686563
• PubChem SID: 164333832
• PubChem CID: 54594791

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.2991583
• LogD (pH = 7.4): -1.0103545
• Log P: 1.7286927
• Molar Refractivity: 42.829 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.24

Product Information

• Purity: 95%