N-cyclopentyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 49568
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NC1CCCC1)CNC.Cl
• Canonical SMILES: CNCC(=O)NC1CCCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-9-6-8(11)10-7-4-2-3-5-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
• InChIKey: HHLUNIOFYGOPOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-cyclopentyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N-Cyclopentyl-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562544
• PubChem SID: 162054331
• PubChem CID: 56832103

CALCULATED PROPERTIES

• Acid pKa: 15.909473
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9144409
• LogD (pH = 7.4): -1.3577751
• Log P: 0.056540154
• Molar Refractivity: 43.9101 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false