butyl[(5-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 312372
• Molecular Formular: C10H17NS
• Molecular Mass: 183.31368
• Monoisotopic Mass: 183.10817055
• SMILES: s1c(ccc1C)CNCCCC
• Canonical SMILES: CCCCNCc1ccc(s1)C
• InChI: InChI=1S/C10H17NS/c1-3-4-7-11-8-10-6-5-9(2)12-10/h5-6,11H,3-4,7-8H2,1-2H3
• InChIKey: CPVBLFPUNAPHLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(5-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: butyl[(5-methylthiophen-2-yl)methyl]amine
• Synonyms: N-[(5-methyl-2-thienyl)methyl]-1-butanamine

Database IDs

• CAS Number: 893611-64-8
• MDL Number: MFCD07409981

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.22798783
• LogD (pH = 7.4): 1.2447718
• Log P: 3.4142358
• Molar Refractivity: 55.1258 cm^3
• Polarizability: 21.476837 Å^3
• Polar Surface Area: 12.03 Å^2