[2-(dimethylamino)ethyl][(5-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 312514
• Molecular Formular: C10H18N2S
• Molecular Mass: 198.32832
• Monoisotopic Mass: 198.11906959
• SMILES: s1c(ccc1C)CNCCN(C)C
• Canonical SMILES: CN(CCNCc1ccc(s1)C)C
• InChI: InChI=1S/C10H18N2S/c1-9-4-5-10(13-9)8-11-6-7-12(2)3/h4-5,11H,6-8H2,1-3H3
• InChIKey: ZIUFETONSNKEIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl][(5-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl][(5-methylthiophen-2-yl)methyl]amine
• Synonyms: N,N-dimethyl-N'-[(5-methyl-2-thienyl)methyl]-1,2-ethanediamine

Database IDs

• CAS Number: 892570-78-4
• MDL Number: MFCD07410344

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.3118996
• Log P: 2.1089814
• Molar Refractivity: 59.2713 cm^3
• Polarizability: 23.001259 Å^3
• Polar Surface Area: 15.27 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1606082