[1-cyclohexyl-2-(pyrrolidin-1-yl)ethyl](methyl)amine

• ChemBase ID: 799843
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N(C)C(CN1CCCC1)C1CCCCC1
• Canonical SMILES: CNC(C1CCCCC1)CN1CCCC1
• InChI: InChI=1S/C13H26N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h12-14H,2-11H2,1H3
• InChIKey: QHVKQGXQHOCVNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-cyclohexyl-2-(pyrrolidin-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-cyclohexyl-2-(pyrrolidin-1-yl)ethyl](methyl)amine
• Synonyms: (1-Cyclohexyl-2-pyrrolidin-1-yl-ethyl)-methyl-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7938955
• LogD (pH = 7.4): -0.74974024
• Log P: 2.405614
• Molar Refractivity: 65.6687 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%