N-(2-methoxyethyl)cyclopropanamine

• ChemBase ID: 259149
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(CC1)NCCOC
• Canonical SMILES: COCCNC1CC1
• InChI: InChI=1S/C6H13NO/c1-8-5-4-7-6-2-3-6/h6-7H,2-5H2,1H3
• InChIKey: FLGBPLJSLMGJAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-methoxyethyl)cyclopropanamine
• Synonyms: N-(2-methoxyethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD09804887
• PubChem SID: 164315059
• PubChem CID: 18944978

CALCULATED PROPERTIES

• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9373808
• LogD (pH = 7.4): -1.7938316
• Log P: 0.22571056
• Molar Refractivity: 32.9481 cm^3
• Polarizability: 13.269628 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.014

Product Information

• Purity: 95%