N-[2-(1H-indol-3-yl)ethyl]cyclohexanamine

• ChemBase ID: 311008
• Molecular Formular: C16H22N2
• Molecular Mass: 242.35928
• Monoisotopic Mass: 242.17829871
• SMILES: [nH]1cc(c2c1cccc2)CCNC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C16H22N2/c1-2-6-14(7-3-1)17-11-10-13-12-18-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,17-18H,1-3,6-7,10-11H2
• InChIKey: IJHNRNKVSNWVEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]cyclohexanamine
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]cyclohexanamine
• Synonyms: N-[2-(1H-indol-3-yl)ethyl]cyclohexanamine

Database IDs

• CAS Number: 46886-89-9
• MDL Number: MFCD00736244

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.48108864
• LogD (pH = 7.4): 0.7518953
• Log P: 3.7182884
• Molar Refractivity: 76.1617 cm^3
• Polarizability: 31.102898 Å^3
• Polar Surface Area: 27.82 Å^2