3-(methylamino)-1-(morpholin-4-yl)propan-1-one

• ChemBase ID: 123451
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(N1CCOCC1)CCNC
• Canonical SMILES: CNCCC(=O)N1CCOCC1
• InChI: InChI=1S/C8H16N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h9H,2-7H2,1H3
• InChIKey: IMAMKARUKQLJAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)-1-(morpholin-4-yl)propan-1-one
• IUPAC Traditional name: 3-(methylamino)-1-(morpholin-4-yl)propan-1-one
• Synonyms: 3-(methylamino)-1-morpholinopropan-1-one

Database IDs

• PubChem SID: 162217804
• PubChem CID: 18988030

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2451134
• LogD (pH = 7.4): -3.2477684
• Log P: -1.0559734
• Molar Refractivity: 46.1675 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true