N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)acetamide hydrochloride

• ChemBase ID: 48784
• Molecular Formular: C10H21ClN2O2
• Molecular Mass: 236.73894
• Monoisotopic Mass: 236.1291556
• SMILES: C(=O)(N(CC1CCOCC1)C)CNC.Cl
• Canonical SMILES: CNCC(=O)N(CC1CCOCC1)C.Cl
• InChI: InChI=1S/C10H20N2O2.ClH/c1-11-7-10(13)12(2)8-9-3-5-14-6-4-9;/h9,11H,3-8H2,1-2H3;1H
• InChIKey: ASUHWONYFZTXGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)acetamide hydrochloride
• IUPAC Traditional name: N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)acetamide hydrochloride
• Synonyms: N-Methyl-2-(methylamino)-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562038
• PubChem SID: 162053547
• PubChem CID: 53410887

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6288042
• LogD (pH = 7.4): -2.0775554
• Log P: -0.6526988
• Molar Refractivity: 55.6871 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false