1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine

• ChemBase ID: 242261
• Molecular Formular: C14H29N3
• Molecular Mass: 239.40016
• Monoisotopic Mass: 239.23614794
• SMILES: N(C1C(NC)CCCC1)(C1CCN(CC1)C)C
• Canonical SMILES: CNC1CCCCC1N(C1CCN(CC1)C)C
• InChI: InChI=1S/C14H29N3/c1-15-13-6-4-5-7-14(13)17(3)12-8-10-16(2)11-9-12/h12-15H,4-11H2,1-3H3
• InChIKey: SQXROZHTTFVFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
• IUPAC Traditional name: 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
• Synonyms: 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine

Database IDs

• MDL Number: MFCD16226262
• PubChem SID: 164298171
• PubChem CID: 61746431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.189199
• LogD (pH = 7.4): -3.116609
• Log P: 1.2670411
• Molar Refractivity: 74.247 cm^3
• Polarizability: 29.6702 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.271

Product Information

• Purity: 95%