N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

• ChemBase ID: 312459
• Molecular Formular: C9H13NS
• Molecular Mass: 167.27122
• Monoisotopic Mass: 167.07687042
• SMILES: s1c(ccc1C)CNC1CC1
• Canonical SMILES: Cc1ccc(s1)CNC1CC1
• InChI: InChI=1S/C9H13NS/c1-7-2-5-9(11-7)6-10-8-3-4-8/h2,5,8,10H,3-4,6H2,1H3
• InChIKey: MVCDRJIQTVRCJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
• Synonyms: N-[(5-methyl-2-thienyl)methyl]cyclopropanamine

Database IDs

• CAS Number: 892570-80-8
• MDL Number: MFCD07408569

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.52427334
• LogD (pH = 7.4): 0.872086
• Log P: 2.5559013
• Molar Refractivity: 48.4634 cm^3
• Polarizability: 18.899933 Å^3
• Polar Surface Area: 12.03 Å^2