1-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octane

• ChemBase ID: 244610
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: C12(C(C1)CN1CCCC1)CCNCC2
• Canonical SMILES: N1CCC2(CC1)CC2CN1CCCC1
• InChI: InChI=1S/C12H22N2/c1-2-8-14(7-1)10-11-9-12(11)3-5-13-6-4-12/h11,13H,1-10H2
• InChIKey: VITIJKKTCHZVFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octane
• IUPAC Traditional name: 1-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octane
• Synonyms: 1-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octane

Database IDs

• MDL Number: MFCD19643224
• PubChem SID: 164300520
• PubChem CID: 64069421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.8879585
• LogD (pH = 7.4): -4.747359
• Log P: 0.82366616
• Molar Refractivity: 59.725 cm^3
• Polarizability: 23.718283 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.197

Product Information

• Purity: 95%