[2-amino-1-(thiophen-3-yl)ethyl]diethylamine

• ChemBase ID: 257244
• Molecular Formular: C10H18N2S
• Molecular Mass: 198.32832
• Monoisotopic Mass: 198.11906959
• SMILES: c1(C(N(CC)CC)CN)cscc1
• Canonical SMILES: NCC(c1cscc1)N(CC)CC
• InChI: InChI=1S/C10H18N2S/c1-3-12(4-2)10(7-11)9-5-6-13-8-9/h5-6,8,10H,3-4,7,11H2,1-2H3
• InChIKey: LMACEHBBGMXZMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(thiophen-3-yl)ethyl]diethylamine
• IUPAC Traditional name: [2-amino-1-(thiophen-3-yl)ethyl]diethylamine
• Synonyms: N-(2-amino-1-thien-3-ylethyl)-N,N-diethylamine

Database IDs

• MDL Number: MFCD09731793
• PubChem SID: 164313154
• PubChem CID: 16785048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4740043
• LogD (pH = 7.4): -0.17336288
• Log P: 1.6714838
• Molar Refractivity: 58.8237 cm^3
• Polarizability: 23.079792 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.017

Product Information

• Purity: 95%