3-methoxy-2-methylspiro[3.3]heptan-1-amine hydrochloride

• ChemBase ID: 248213
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: C12(C(C(C1OC)C)N)CCC2.Cl
• Canonical SMILES: COC1C(C)C(C21CCC2)N.Cl
• InChI: InChI=1S/C9H17NO.ClH/c1-6-7(10)9(4-3-5-9)8(6)11-2;/h6-8H,3-5,10H2,1-2H3;1H
• InChIKey: XJUQFEWQDHEDJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methylspiro[3.3]heptan-1-amine hydrochloride
• IUPAC Traditional name: 3-methoxy-2-methylspiro[3.3]heptan-1-amine hydrochloride
• Synonyms: 3-methoxy-2-methylspiro[3.3]heptan-1-amine hydrochloride

Database IDs

• PubChem SID: 164304123
• PubChem CID: 71758411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1859167
• LogD (pH = 7.4): -1.5332171
• Log P: 0.8273358
• Molar Refractivity: 44.039 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.614

Product Information

• Purity: 95%