N-cyclopropyl-N-methyl-6-azaspiro[2.5]octane-1-carboxamide hydrochloride

• ChemBase ID: 246427
• Molecular Formular: C12H21ClN2O
• Molecular Mass: 244.76094
• Monoisotopic Mass: 244.13424098
• SMILES: C1(C(=O)N(C2CC2)C)C2(C1)CCNCC2.Cl
• Canonical SMILES: CN(C(=O)C1CC21CCNCC2)C1CC1.Cl
• InChI: InChI=1S/C12H20N2O.ClH/c1-14(9-2-3-9)11(15)10-8-12(10)4-6-13-7-5-12;/h9-10,13H,2-8H2,1H3;1H
• InChIKey: IVHKXKFYZKHZLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-methyl-6-azaspiro[2.5]octane-1-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclopropyl-N-methyl-6-azaspiro[2.5]octane-1-carboxamide hydrochloride
• Synonyms: N-cyclopropyl-N-methyl-6-azaspiro[2.5]octane-1-carboxamide hydrochloride

Database IDs

• PubChem SID: 164302337
• PubChem CID: 71757992

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1105566
• LogD (pH = 7.4): -2.4246376
• Log P: 0.10954654
• Molar Refractivity: 59.1236 cm^3
• Polarizability: 23.379332 Å^3
• Polar Surface Area: 32.34 Å^2

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): -0.062

Product Information

• Purity: 95%