3,3,5,5-tetramethylcyclohexan-1-amine

• ChemBase ID: 247556
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C1(CC(CC(C1)N)(C)C)(C)C
• Canonical SMILES: NC1CC(C)(C)CC(C1)(C)C
• InChI: InChI=1S/C10H21N/c1-9(2)5-8(11)6-10(3,4)7-9/h8H,5-7,11H2,1-4H3
• InChIKey: HUIXANYOOSRZMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetramethylcyclohexan-1-amine
• IUPAC Traditional name: 3,3,5,5-tetramethylcyclohexan-1-amine
• Synonyms: 3,3,5,5-tetramethylcyclohexan-1-amine; 3,3,5,5-tetramethylcyclohexanamine; (3,3,5,5-tetramethylcyclohexyl)amine

Database IDs

• CAS Number: 32939-18-7
• MDL Number: MFCD09864292
• PubChem SID: 164303466
• PubChem CID: 22175131

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6796213
• LogD (pH = 7.4): -0.3796078
• Log P: 2.347944
• Molar Refractivity: 48.9804 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.443

Product Information

• Purity: 95%; 97%