(2-methylpropyl)(thiophen-3-ylmethyl)amine

• ChemBase ID: 312675
• Molecular Formular: C9H15NS
• Molecular Mass: 169.2871
• Monoisotopic Mass: 169.09252049
• SMILES: c1(cscc1)CNCC(C)C
• Canonical SMILES: CC(CNCc1cscc1)C
• InChI: InChI=1S/C9H15NS/c1-8(2)5-10-6-9-3-4-11-7-9/h3-4,7-8,10H,5-6H2,1-2H3
• InChIKey: RDWXCECIJRGLSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: (2-methylpropyl)(thiophen-3-ylmethyl)amine
• Synonyms: 2-methyl-N-(3-thienylmethyl)-1-propanamine

Database IDs

• CAS Number: 892592-84-6
• MDL Number: MFCD07411605

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6421839
• LogD (pH = 7.4): 0.28412572
• Log P: 2.5563397
• Molar Refractivity: 50.156 cm^3
• Polarizability: 19.71149 Å^3
• Polar Surface Area: 12.03 Å^2