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

• ChemBase ID: 312373
• Molecular Formular: C10H17NS
• Molecular Mass: 183.31368
• Monoisotopic Mass: 183.10817055
• SMILES: c1(c(ccs1)C)CNCC(C)C
• Canonical SMILES: CC(CNCc1sccc1C)C
• InChI: InChI=1S/C10H17NS/c1-8(2)6-11-7-10-9(3)4-5-12-10/h4-5,8,11H,6-7H2,1-3H3
• InChIKey: RAFNNRGHNQPSGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 869942-30-3
• MDL Number: MFCD04477071

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.002442967
• LogD (pH = 7.4): 0.86922944
• Log P: 3.2022007
• Molar Refractivity: 54.9813 cm^3
• Polarizability: 21.473232 Å^3
• Polar Surface Area: 12.03 Å^2