N-[2-(ethylsulfanyl)ethyl]cyclohexanamine

• ChemBase ID: 312258
• Molecular Formular: C10H21NS
• Molecular Mass: 187.34544
• Monoisotopic Mass: 187.13947068
• SMILES: N(C1CCCCC1)CCSCC
• Canonical SMILES: CCSCCNC1CCCCC1
• InChI: InChI=1S/C10H21NS/c1-2-12-9-8-11-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
• InChIKey: VDULVDBRQGVTGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(ethylsulfanyl)ethyl]cyclohexanamine
• IUPAC Traditional name: N-[2-(ethylsulfanyl)ethyl]cyclohexanamine
• Synonyms: N-[2-(ethylthio)ethyl]cyclohexanamine

Database IDs

• MDL Number: MFCD08691872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.57989913
• LogD (pH = 7.4): -0.12631108
• Log P: 2.651791
• Molar Refractivity: 57.6313 cm^3
• Polarizability: 23.032455 Å^3
• Polar Surface Area: 12.03 Å^2