cyclohexyl(thiophen-2-yl)methanamine

• ChemBase ID: 308514
• Molecular Formular: C11H17NS
• Molecular Mass: 195.32438
• Monoisotopic Mass: 195.10817055
• SMILES: c1(sccc1)C(C1CCCCC1)N
• Canonical SMILES: NC(c1cccs1)C1CCCCC1
• InChI: InChI=1S/C11H17NS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h4,7-9,11H,1-3,5-6,12H2
• InChIKey: GNEJURCYUCVXIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(thiophen-2-yl)methanamine
• IUPAC Traditional name: cyclohexyl(thiophen-2-yl)methanamine
• Synonyms: 1-cyclohexyl-1-(2-thienyl)methanamine

Database IDs

• CAS Number: 473732-81-9
• MDL Number: MFCD11053986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.22215721
• LogD (pH = 7.4): 1.3165107
• Log P: 3.185946
• Molar Refractivity: 56.8365 cm^3
• Polarizability: 22.668976 Å^3
• Polar Surface Area: 26.02 Å^2