3,5-dimethylcyclohexan-1-amine

• ChemBase ID: 277521
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(CC(CC(C1)C)C)N
• Canonical SMILES: CC1CC(C)CC(C1)N
• InChI: InChI=1S/C8H17N/c1-6-3-7(2)5-8(9)4-6/h6-8H,3-5,9H2,1-2H3
• InChIKey: AUVPFHDQSZJPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylcyclohexan-1-amine
• IUPAC Traditional name: 3,5-dimethylcyclohexan-1-amine
• Synonyms: 3,5-dimethylcyclohexan-1-amine; 3,5-dimethylcyclohexanamine

Database IDs

• CAS Number: 73650-03-0
• MDL Number: MFCD19204292
• PubChem SID: 164333431
• PubChem CID: 14675374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2799128
• LogD (pH = 7.4): -0.987612
• Log P: 1.7478498
• Molar Refractivity: 40.0302 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.405

Product Information

• Purity: 95%; 97%