3-ethoxy-N-methylspiro[3.3]heptan-1-amine hydrochloride

• ChemBase ID: 239305
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: C12(C(CC1OCC)NC)CCC2.Cl
• Canonical SMILES: CCOC1CC(C21CCC2)NC.Cl
• InChI: InChI=1S/C10H19NO.ClH/c1-3-12-9-7-8(11-2)10(9)5-4-6-10;/h8-9,11H,3-7H2,1-2H3;1H
• InChIKey: OGJAEMCPRPZMDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22378718
• PubChem SID: 164295215
• PubChem CID: 71756381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.082725
• LogD (pH = 7.4): -1.3972263
• Log P: 1.1374005
• Molar Refractivity: 49.1458 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.874

Product Information

• Purity: 95%