N-(3,3-diethoxypropyl)-N-methylcyclopropanamine

• ChemBase ID: 242949
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: C1(CC1)N(CCC(OCC)OCC)C
• Canonical SMILES: CCOC(OCC)CCN(C1CC1)C
• InChI: InChI=1S/C11H23NO2/c1-4-13-11(14-5-2)8-9-12(3)10-6-7-10/h10-11H,4-9H2,1-3H3
• InChIKey: PUVHKIJIPJQPCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diethoxypropyl)-N-methylcyclopropanamine
• IUPAC Traditional name: N-(3,3-diethoxypropyl)-N-methylcyclopropanamine
• Synonyms: N-(3,3-diethoxypropyl)-N-methylcyclopropanamine

Database IDs

• MDL Number: MFCD18848643
• PubChem SID: 164298859
• PubChem CID: 63630114

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4184546
• LogD (pH = 7.4): 0.06946535
• Log P: 1.8715801
• Molar Refractivity: 57.9729 cm^3
• Polarizability: 23.170424 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.841

Product Information

• Purity: 95%