5,5-dimethyl-3-(piperidin-1-yl)cyclohex-2-en-1-imine

• ChemBase ID: 229562
• Molecular Formular: C13H22N2
• Molecular Mass: 206.32718
• Monoisotopic Mass: 206.17829871
• SMILES: C1(=CC(=N)CC(C1)(C)C)N1CCCCC1
• Canonical SMILES: N=C1C=C(CC(C1)(C)C)N1CCCCC1
• InChI: InChI=1S/C13H22N2/c1-13(2)9-11(14)8-12(10-13)15-6-4-3-5-7-15/h8,14H,3-7,9-10H2,1-2H3
• InChIKey: OAQBRZYZPLCAQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-3-(piperidin-1-yl)cyclohex-2-en-1-imine
• IUPAC Traditional name: 5,5-dimethyl-3-(piperidin-1-yl)cyclohex-2-en-1-imine
• Synonyms: 5,5-Dimethyl-3-piperidin-1-yl-cyclohex-2-enylideneamine

Database IDs

• MDL Number: MFCD02708455
• PubChem SID: 164285472
• PubChem CID: 3416223

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1284826
• LogD (pH = 7.4): -1.1154342
• Log P: 2.2878046
• Molar Refractivity: 76.7515 cm^3
• Polarizability: 24.852806 Å^3
• Polar Surface Area: 27.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%