N-(thiophen-3-ylmethyl)cyclohexanamine

• ChemBase ID: 312599
• Molecular Formular: C11H17NS
• Molecular Mass: 195.32438
• Monoisotopic Mass: 195.10817055
• SMILES: c1(cscc1)CNC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCc1cscc1
• InChI: InChI=1S/C11H17NS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h6-7,9,11-12H,1-5,8H2
• InChIKey: CGIXKPNVDBPGFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(thiophen-3-ylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(thiophen-3-ylmethyl)cyclohexanamine
• Synonyms: N-(3-thienylmethyl)cyclohexanamine

Database IDs

• CAS Number: 892592-33-5
• MDL Number: MFCD07411585

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.09275026
• LogD (pH = 7.4): 0.7845022
• Log P: 3.1113071
• Molar Refractivity: 57.426 cm^3
• Polarizability: 22.66639 Å^3
• Polar Surface Area: 12.03 Å^2