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

• ChemBase ID: 312267
• Molecular Formular: C9H13NS
• Molecular Mass: 167.27122
• Monoisotopic Mass: 167.07687042
• SMILES: c1(c(ccs1)C)CNC1CC1
• Canonical SMILES: Cc1ccsc1CNC1CC1
• InChI: InChI=1S/C9H13NS/c1-7-4-5-11-9(7)6-10-8-2-3-8/h4-5,8,10H,2-3,6H2,1H3
• InChIKey: VJKZEIGEHNHRNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 892571-43-6
• MDL Number: MFCD07408593

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6701612
• LogD (pH = 7.4): 0.69697285
• Log P: 2.423462
• Molar Refractivity: 48.4483 cm^3
• Polarizability: 18.89637 Å^3
• Polar Surface Area: 12.03 Å^2