3-methoxy-2,2,4-trimethylcyclobutan-1-amine hydrochloride

• ChemBase ID: 247174
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: C1(C(C(C1OC)C)N)(C)C.Cl
• Canonical SMILES: COC1C(C)C(C1(C)C)N.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-5-6(9)8(2,3)7(5)10-4;/h5-7H,9H2,1-4H3;1H
• InChIKey: IXFJGGPBUIRUDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,2,4-trimethylcyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 3-methoxy-2,2,4-trimethylcyclobutan-1-amine hydrochloride
• Synonyms: 3-methoxy-2,2,4-trimethylcyclobutan-1-amine hydrochloride

Database IDs

• PubChem SID: 164303084
• PubChem CID: 71758158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1674845
• LogD (pH = 7.4): -1.5269699
• Log P: 0.846493
• Molar Refractivity: 41.2402 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.779

Product Information

• Purity: 95%