N-(thiophen-3-ylmethyl)cyclopentanamine

• ChemBase ID: 312592
• Molecular Formular: C10H15NS
• Molecular Mass: 181.2978
• Monoisotopic Mass: 181.09252049
• SMILES: c1(cscc1)CNC1CCCC1
• Canonical SMILES: C1CCC(C1)NCc1cscc1
• InChI: InChI=1S/C10H15NS/c1-2-4-10(3-1)11-7-9-5-6-12-8-9/h5-6,8,10-11H,1-4,7H2
• InChIKey: XBPRHSCVSGJXIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 892592-57-3
• MDL Number: MFCD07411593

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5285357
• LogD (pH = 7.4): 0.42390728
• Log P: 2.6667385
• Molar Refractivity: 52.825 cm^3
• Polarizability: 20.822176 Å^3
• Polar Surface Area: 12.03 Å^2