2,2-dimethylcyclohexan-1-amine

• ChemBase ID: 235698
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(C(N)CCCC1)(C)C
• Canonical SMILES: NC1CCCCC1(C)C
• InChI: InChI=1S/C8H17N/c1-8(2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
• InChIKey: XVXGXOJNGBLOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylcyclohexan-1-amine
• IUPAC Traditional name: 2,2-dimethylcyclohexan-1-amine
• Synonyms: 2,2-dimethylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD16658197
• PubChem SID: 164291608
• PubChem CID: 14405857

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1072294
• LogD (pH = 7.4): -0.68822473
• Log P: 1.9167854
• Molar Refractivity: 39.8027 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%