3-methoxy-2,2-dimethylcyclobutan-1-amine

• ChemBase ID: 236123
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(C(CC1OC)N)(C)C
• Canonical SMILES: COC1CC(C1(C)C)N
• InChI: InChI=1S/C7H15NO/c1-7(2)5(8)4-6(7)9-3/h5-6H,4,8H2,1-3H3
• InChIKey: JMQMEXCEVGRIOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,2-dimethylcyclobutan-1-amine
• IUPAC Traditional name: 3-methoxy-2,2-dimethylcyclobutan-1-amine
• Synonyms: 3-methoxy-2,2-dimethylcyclobutan-1-amine

Database IDs

• MDL Number: MFCD21757660
• PubChem SID: 164292033
• PubChem CID: 66357768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6442554
• LogD (pH = 7.4): -1.9623808
• Log P: 0.36716944
• Molar Refractivity: 36.8238 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.26

Product Information

• Purity: 95%