N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine

• ChemBase ID: 312399
• Molecular Formular: C11H17NS
• Molecular Mass: 195.32438
• Monoisotopic Mass: 195.10817055
• SMILES: c1(c(ccs1)C)CNC1CCCC1
• Canonical SMILES: Cc1ccsc1CNC1CCCC1
• InChI: InChI=1S/C11H17NS/c1-9-6-7-13-11(9)8-12-10-4-2-3-5-10/h6-7,10,12H,2-5,8H2,1H3
• InChIKey: XRSJWQZQGFAZNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(3-methylthiophen-2-yl)methyl]cyclopentanamine
• Synonyms: N-[(3-methyl-2-thienyl)methyl]cyclopentanamine

Database IDs

• CAS Number: 869942-91-6
• MDL Number: MFCD04481789

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.11069415
• LogD (pH = 7.4): 1.0077739
• Log P: 3.3125992
• Molar Refractivity: 57.6503 cm^3
• Polarizability: 22.583706 Å^3
• Polar Surface Area: 12.03 Å^2