(cyclohexylmethyl)(propyl)amine

• ChemBase ID: 261998
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(CC1CCCCC1)CCC
• Canonical SMILES: CCCNCC1CCCCC1
• InChI: InChI=1S/C10H21N/c1-2-8-11-9-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
• InChIKey: HIAYJLWFQQQPGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(propyl)amine
• IUPAC Traditional name: (cyclohexylmethyl)(propyl)amine
• Synonyms: (cyclohexylmethyl)(propyl)amine

Database IDs

• MDL Number: MFCD03035245
• PubChem SID: 164317908
• PubChem CID: 551629

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.43826875
• LogD (pH = 7.4): -0.249927
• Log P: 2.8007352
• Molar Refractivity: 49.711 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 3.19

Product Information

• Purity: 95%