2-cyclohexyl-2-methylpropan-1-amine

• ChemBase ID: 245312
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C(C1CCCCC1)(CN)(C)C
• Canonical SMILES: NCC(C1CCCCC1)(C)C
• InChI: InChI=1S/C10H21N/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-8,11H2,1-2H3
• InChIKey: FIMBUHZDDIODLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-2-methylpropan-1-amine
• IUPAC Traditional name: 2-cyclohexyl-2-methylpropan-1-amine
• Synonyms: 2-cyclohexyl-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD20699960
• PubChem SID: 164301222
• PubChem CID: 19776368

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4169795
• LogD (pH = 7.4): 0.19865549
• Log P: 2.598413
• Molar Refractivity: 49.2115 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.313

Product Information

• Purity: 95%