2,2-diethyl-3-methoxy-4-methylcyclobutan-1-amine

• ChemBase ID: 246350
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(C(C(C1OC)C)N)(CC)CC
• Canonical SMILES: COC1C(C)C(C1(CC)CC)N
• InChI: InChI=1S/C10H21NO/c1-5-10(6-2)8(11)7(3)9(10)12-4/h7-9H,5-6,11H2,1-4H3
• InChIKey: MZIZHDQBQJLHFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyl-3-methoxy-4-methylcyclobutan-1-amine
• IUPAC Traditional name: 2,2-diethyl-3-methoxy-4-methylcyclobutan-1-amine
• Synonyms: 2,2-diethyl-3-methoxy-4-methylcyclobutan-1-amine

Database IDs

• MDL Number: MFCD23144291
• PubChem SID: 164302260
• PubChem CID: 71757966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2776496
• LogD (pH = 7.4): -0.62540674
• Log P: 1.7356303
• Molar Refractivity: 50.4422 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.837

Product Information

• Purity: 95%