4-(4-ethylpyrrolidin-3-yl)morpholine

• ChemBase ID: 284502
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C2C(CNC2)CC)CCOCC1
• Canonical SMILES: CCC1CNCC1N1CCOCC1
• InChI: InChI=1S/C10H20N2O/c1-2-9-7-11-8-10(9)12-3-5-13-6-4-12/h9-11H,2-8H2,1H3
• InChIKey: CPTMQDCFEIDJGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethylpyrrolidin-3-yl)morpholine
• IUPAC Traditional name: 4-(4-ethylpyrrolidin-3-yl)morpholine
• Synonyms: 4-(4-ethylpyrrolidin-3-yl)morpholine

Database IDs

• MDL Number: MFCD22392272
• PubChem SID: 180670033
• PubChem CID: 73994641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.958442
• LogD (pH = 7.4): -2.5820189
• Log P: 0.4793597
• Molar Refractivity: 53.371 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.193

Product Information

• Purity: 95%