2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride

• ChemBase ID: 239341
• Molecular Formular: C10H22ClNO
• Molecular Mass: 207.74078
• Monoisotopic Mass: 207.13899201
• SMILES: C1(C(CC1OC)NC)(CC)CC.Cl
• Canonical SMILES: CNC1CC(C1(CC)CC)OC.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-5-10(6-2)8(11-3)7-9(10)12-4;/h8-9,11H,5-7H2,1-4H3;1H
• InChIKey: MMPGZDAACRTDMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride
• Synonyms: 2,2-diethyl-3-methoxy-N-methylcyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22378723
• PubChem SID: 164295251
• PubChem CID: 71756393

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5349234
• LogD (pH = 7.4): -0.9101672
• Log P: 1.6888871
• Molar Refractivity: 50.8004 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.708

Product Information

• Purity: 95%