butyl(thiophen-3-ylmethyl)amine

• ChemBase ID: 312350
• Molecular Formular: C9H15NS
• Molecular Mass: 169.2871
• Monoisotopic Mass: 169.09252049
• SMILES: c1(cscc1)CNCCCC
• Canonical SMILES: CCCCNCc1cscc1
• InChI: InChI=1S/C9H15NS/c1-2-3-5-10-7-9-4-6-11-8-9/h4,6,8,10H,2-3,5,7H2,1H3
• InChIKey: ULVKBQORUAAYML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: butyl(thiophen-3-ylmethyl)amine
• Synonyms: N-(3-thienylmethyl)-1-butanamine

Database IDs

• CAS Number: 892592-54-0
• MDL Number: MFCD07411592

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5485844
• LogD (pH = 7.4): 0.47934666
• Log P: 2.6359355
• Molar Refractivity: 50.2854 cm^3
• Polarizability: 19.71149 Å^3
• Polar Surface Area: 12.03 Å^2