2-amino-N,4-dimethyl-N-(thiophen-2-ylmethyl)pentanamide hydrochloride

• ChemBase ID: 243637
• Molecular Formular: C12H21ClN2OS
• Molecular Mass: 276.82594
• Monoisotopic Mass: 276.10631198
• SMILES: C(=O)(N(Cc1sccc1)C)C(CC(C)C)N.Cl
• Canonical SMILES: CC(CC(C(=O)N(Cc1cccs1)C)N)C.Cl
• InChI: InChI=1S/C12H20N2OS.ClH/c1-9(2)7-11(13)12(15)14(3)8-10-5-4-6-16-10;/h4-6,9,11H,7-8,13H2,1-3H3;1H
• InChIKey: GDGXZASHVZGCGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,4-dimethyl-N-(thiophen-2-ylmethyl)pentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,4-dimethyl-N-(thiophen-2-ylmethyl)pentanamide hydrochloride
• Synonyms: 2-amino-N,4-dimethyl-N-(thiophen-2-ylmethyl)pentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578724
• PubChem SID: 164299547
• PubChem CID: 71757306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7221327
• LogD (pH = 7.4): 0.8930537
• Log P: 1.9531629
• Molar Refractivity: 67.289 cm^3
• Polarizability: 26.443556 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.941

Product Information

• Purity: 95%