butyl[(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 312564
• Molecular Formular: C10H17NS
• Molecular Mass: 183.31368
• Monoisotopic Mass: 183.10817055
• SMILES: c1(c(ccs1)C)CNCCCC
• Canonical SMILES: CCCCNCc1sccc1C
• InChI: InChI=1S/C10H17NS/c1-3-4-6-11-8-10-9(2)5-7-12-10/h5,7,11H,3-4,6,8H2,1-2H3
• InChIKey: CPRAFZHFARXMIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: butyl[(3-methylthiophen-2-yl)methyl]amine
• Synonyms: N-[(3-methyl-2-thienyl)methyl]-1-butanamine

Database IDs

• CAS Number: 893611-80-8
• MDL Number: MFCD07409986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.08937281
• LogD (pH = 7.4): 1.063349
• Log P: 3.2817965
• Molar Refractivity: 55.1107 cm^3
• Polarizability: 21.473232 Å^3
• Polar Surface Area: 12.03 Å^2