3-ethoxy-2,2-diethylcyclobutan-1-amine

• ChemBase ID: 234933
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(C(CC1OCC)N)(CC)CC
• Canonical SMILES: CCOC1CC(C1(CC)CC)N
• InChI: InChI=1S/C10H21NO/c1-4-10(5-2)8(11)7-9(10)12-6-3/h8-9H,4-7,11H2,1-3H3
• InChIKey: ZMAHIUYXBCWNFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-2,2-diethylcyclobutan-1-amine
• IUPAC Traditional name: 3-ethoxy-2,2-diethylcyclobutan-1-amine
• Synonyms: 3-ethoxy-2,2-diethylcyclobutan-1-amine

Database IDs

• MDL Number: MFCD21647898
• PubChem SID: 164290843
• PubChem CID: 64568592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.397521
• LogD (pH = 7.4): -0.7036718
• Log P: 1.6131147
• Molar Refractivity: 50.7744 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.707

Product Information

• Purity: 95%