1-cyclohexyl-3,3-dimethylbutan-2-amine

• ChemBase ID: 275331
• Molecular Formular: C12H25N
• Molecular Mass: 183.3336
• Monoisotopic Mass: 183.19869981
• SMILES: C(C(C)(C)C)(CC1CCCCC1)N
• Canonical SMILES: NC(C(C)(C)C)CC1CCCCC1
• InChI: InChI=1S/C12H25N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
• InChIKey: FEWAYFMACVGCPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-3,3-dimethylbutan-2-amine
• IUPAC Traditional name: 1-cyclohexyl-3,3-dimethylbutan-2-amine
• Synonyms: 1-cyclohexyl-3,3-dimethylbutan-2-amine

Database IDs

• MDL Number: MFCD16822474
• PubChem SID: 164331241
• PubChem CID: 54593638

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5134957
• LogD (pH = 7.4): 0.9324997
• Log P: 3.5375104
• Molar Refractivity: 58.1543 cm^3
• Polarizability: 23.680191 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.151

Product Information

• Purity: 95%