7,8-dimethyl-1-azaspiro[4.4]nonane hydrochloride

• ChemBase ID: 32182
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: C12(NCCC2)CC(C(C1)C)C.Cl
• Canonical SMILES: CC1CC2(CC1C)CCCN2.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-8-6-10(7-9(8)2)4-3-5-11-10;/h8-9,11H,3-7H2,1-2H3;1H
• InChIKey: YOEKDAXNEUTRHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethyl-1-azaspiro[4.4]nonane hydrochloride
• IUPAC Traditional name: 7,8-dimethyl-1-azaspiro[4.4]nonane hydrochloride
• Synonyms: 7,8-Dimethyl-1-azaspiro[4.4]nonane hydrochloride

Database IDs

• MDL Number: MFCD11226479
• PubChem SID: 160995489
• PubChem CID: 25049830

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1760503
• LogD (pH = 7.4): -1.1354156
• Log P: 2.0654278
• Molar Refractivity: 47.6344 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false