2-amino-N-methyl-N-(oxan-4-yl)propanamide

• ChemBase ID: 241893
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(N(C1CCOCC1)C)C(N)C
• Canonical SMILES: CC(C(=O)N(C1CCOCC1)C)N
• InChI: InChI=1S/C9H18N2O2/c1-7(10)9(12)11(2)8-3-5-13-6-4-8/h7-8H,3-6,10H2,1-2H3
• InChIKey: JJGWAILBNNILRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-(oxan-4-yl)propanamide
• IUPAC Traditional name: 2-amino-N-methyl-N-(oxan-4-yl)propanamide
• Synonyms: 2-amino-N-methyl-N-(oxan-4-yl)propanamide

Database IDs

• MDL Number: MFCD12089208
• PubChem SID: 164297803
• PubChem CID: 43611105

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6272511
• LogD (pH = 7.4): -1.9976845
• Log P: -0.9771157
• Molar Refractivity: 50.5884 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.234

Product Information

• Purity: 95%