3-methyl-N-propylcyclohexan-1-amine

• ChemBase ID: 307904
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(C1CC(CCC1)C)CCC
• Canonical SMILES: CCCNC1CCCC(C1)C
• InChI: InChI=1S/C10H21N/c1-3-7-11-10-6-4-5-9(2)8-10/h9-11H,3-8H2,1-2H3
• InChIKey: XCSDZAOBQAHRBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-N-propylcyclohexan-1-amine
• IUPAC Traditional name: 3-methyl-N-propylcyclohexan-1-amine
• Synonyms: (3-methylcyclohexyl)propylamine

Database IDs

• CAS Number: 1051919-32-4
• MDL Number: MFCD08691724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.46648028
• LogD (pH = 7.4): -0.28927538
• Log P: 2.7727416
• Molar Refractivity: 49.5288 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2