3-ethoxy-N,2,2-trimethylcyclobutan-1-amine

• ChemBase ID: 277993
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(C(CC1OCC)NC)(C)C
• Canonical SMILES: CCOC1CC(C1(C)C)NC
• InChI: InChI=1S/C9H19NO/c1-5-11-8-6-7(10-4)9(8,2)3/h7-8,10H,5-6H2,1-4H3
• InChIKey: BRIAXAVVOHZGCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982474
• PubChem SID: 164333903
• PubChem CID: 54594803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.065357
• LogD (pH = 7.4): -1.4082204
• Log P: 1.1565578
• Molar Refractivity: 46.347 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.039

Product Information

• Purity: 95%