N-{6-azaspiro[2.5]octan-1-ylmethyl}-N-methylcyclopropanamine

• ChemBase ID: 244616
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: C12(C(C1)CN(C1CC1)C)CCNCC2
• Canonical SMILES: CN(C1CC1)CC1CC21CCNCC2
• InChI: InChI=1S/C12H22N2/c1-14(11-2-3-11)9-10-8-12(10)4-6-13-7-5-12/h10-11,13H,2-9H2,1H3
• InChIKey: YOHYTEUXRDRFFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{6-azaspiro[2.5]octan-1-ylmethyl}-N-methylcyclopropanamine
• IUPAC Traditional name: N-{6-azaspiro[2.5]octan-1-ylmethyl}-N-methylcyclopropanamine
• Synonyms: N-{6-azaspiro[2.5]octan-1-ylmethyl}-N-methylcyclopropanamine

Database IDs

• MDL Number: MFCD19643241
• PubChem SID: 164300526
• PubChem CID: 64069225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7978754
• LogD (pH = 7.4): -4.339019
• Log P: 0.8834333
• Molar Refractivity: 59.3952 cm^3
• Polarizability: 23.718283 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.147

Product Information

• Purity: 95%