tert-butyl(thiophen-3-ylmethyl)amine

• ChemBase ID: 312304
• Molecular Formular: C9H15NS
• Molecular Mass: 169.2871
• Monoisotopic Mass: 169.09252049
• SMILES: c1(cscc1)CNC(C)(C)C
• Canonical SMILES: CC(NCc1cscc1)(C)C
• InChI: InChI=1S/C9H15NS/c1-9(2,3)10-6-8-4-5-11-7-8/h4-5,7,10H,6H2,1-3H3
• InChIKey: SFHMYZDKLSNZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 341008-35-3
• MDL Number: MFCD01426999

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.81394476
• LogD (pH = 7.4): 0.24199063
• Log P: 2.3659964
• Molar Refractivity: 50.2174 cm^3
• Polarizability: 19.711489 Å^3
• Polar Surface Area: 12.03 Å^2