(cyclohexylmethyl)(pentan-2-yl)amine

• ChemBase ID: 307888
• Molecular Formular: C12H25N
• Molecular Mass: 183.3336
• Monoisotopic Mass: 183.19869981
• SMILES: N(CC1CCCCC1)C(CCC)C
• Canonical SMILES: CCCC(NCC1CCCCC1)C
• InChI: InChI=1S/C12H25N/c1-3-7-11(2)13-10-12-8-5-4-6-9-12/h11-13H,3-10H2,1-2H3
• InChIKey: XAWBTJCUUJDQQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(pentan-2-yl)amine
• IUPAC Traditional name: (cyclohexylmethyl)(pentan-2-yl)amine
• Synonyms: (cyclohexylmethyl)(1-methylbutyl)amine

Database IDs

• CAS Number: 706823-11-2
• MDL Number: MFCD08691710

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4222324
• LogD (pH = 7.4): 0.5768561
• Log P: 3.6618788
• Molar Refractivity: 58.7308 cm^3
• Polarizability: 23.680191 Å^3
• Polar Surface Area: 12.03 Å^2