2,4-dimethylcyclohexan-1-amine

• ChemBase ID: 274158
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(C(CCC(C1)C)N)C
• Canonical SMILES: CC1CCC(C(C1)C)N
• InChI: InChI=1S/C8H17N/c1-6-3-4-8(9)7(2)5-6/h6-8H,3-5,9H2,1-2H3
• InChIKey: HWRRQRKPNKYPBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylcyclohexan-1-amine
• IUPAC Traditional name: 2,4-dimethylcyclohexan-1-amine
• Synonyms: 2,4-dimethylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD00130040
• PubChem SID: 164330068
• PubChem CID: 14675373

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.20266
• LogD (pH = 7.4): -0.9389577
• Log P: 1.8258036
• Molar Refractivity: 39.9532 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%