2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine

• ChemBase ID: 263733
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CC(OC(C1)C)C)CC1NCCC1
• Canonical SMILES: CC1CN(CC2CCCN2)CC(O1)C
• InChI: InChI=1S/C11H22N2O/c1-9-6-13(7-10(2)14-9)8-11-4-3-5-12-11/h9-12H,3-8H2,1-2H3
• InChIKey: PJIJYQDLQDIDLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
• Synonyms: 2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine

Database IDs

• MDL Number: MFCD11154971
• PubChem SID: 164319643
• PubChem CID: 43199437

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.743692
• LogD (pH = 7.4): -2.1631987
• Log P: 0.90598017
• Molar Refractivity: 57.8358 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.94

Product Information

• Purity: 95%