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

• ChemBase ID: 312496
• Molecular Formular: C9H15NS
• Molecular Mass: 169.2871
• Monoisotopic Mass: 169.09252049
• SMILES: s1c(ccc1)CNCC(C)C
• Canonical SMILES: CC(CNCc1cccs1)C
• InChI: InChI=1S/C9H15NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,8,10H,6-7H2,1-2H3
• InChIKey: YRXXZEKTOKFSKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58924-52-0
• MDL Number: MFCD04516960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49876845
• LogD (pH = 7.4): 0.5094056
• Log P: 2.688779
• Molar Refractivity: 49.9401 cm^3
• Polarizability: 19.71417 Å^3
• Polar Surface Area: 12.03 Å^2