N-(cyclopropylmethyl)-6-azaspiro[2.5]octane-1-carboxamide hydrochloride

• ChemBase ID: 247466
• Molecular Formular: C12H21ClN2O
• Molecular Mass: 244.76094
• Monoisotopic Mass: 244.13424098
• SMILES: C12(C(C1)C(=O)NCC1CC1)CCNCC2.Cl
• Canonical SMILES: O=C(C1CC21CCNCC2)NCC1CC1.Cl
• InChI: InChI=1S/C12H20N2O.ClH/c15-11(14-8-9-1-2-9)10-7-12(10)3-5-13-6-4-12;/h9-10,13H,1-8H2,(H,14,15);1H
• InChIKey: MPDMSUMONXRPQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-6-azaspiro[2.5]octane-1-carboxamide hydrochloride
• IUPAC Traditional name: N-(cyclopropylmethyl)-6-azaspiro[2.5]octane-1-carboxamide hydrochloride
• Synonyms: N-(cyclopropylmethyl)-6-azaspiro[2.5]octane-1-carboxamide hydrochloride

Database IDs

• PubChem SID: 164303376
• PubChem CID: 71758229

CALCULATED PROPERTIES

• Acid pKa: 16.03656
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0192232
• LogD (pH = 7.4): -2.3333008
• Log P: 0.20088321
• Molar Refractivity: 58.9577 cm^3
• Polarizability: 23.379332 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.051

Product Information

• Purity: 95%