[2-amino-2-(thiophen-2-yl)ethyl]dimethylamine

• ChemBase ID: 279610
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: c1(C(CN(C)C)N)sccc1
• Canonical SMILES: CN(CC(c1cccs1)N)C
• InChI: InChI=1S/C8H14N2S/c1-10(2)6-7(9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3
• InChIKey: DFNDVNBHLCZMDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-2-(thiophen-2-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-2-(thiophen-2-yl)ethyl]dimethylamine
• Synonyms: N-(2-amino-2-thien-2-ylethyl)-N,N-dimethylamine

Database IDs

• MDL Number: MFCD08444618
• PubChem SID: 164335520
• PubChem CID: 16228092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6173553
• LogD (pH = 7.4): -0.30299902
• Log P: 1.0903072
• Molar Refractivity: 49.1106 cm^3
• Polarizability: 19.395021 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.811

Product Information

• Purity: 95%