N-methyl-1-[(pyrrolidin-1-yl)methyl]cyclohexan-1-amine

• ChemBase ID: 799852
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N(C1(CCCCC1)CN1CCCC1)C
• Canonical SMILES: CNC1(CCCCC1)CN1CCCC1
• InChI: InChI=1S/C12H24N2/c1-13-12(7-3-2-4-8-12)11-14-9-5-6-10-14/h13H,2-11H2,1H3
• InChIKey: PLNXZYFWDLFUPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(pyrrolidin-1-yl)methyl]cyclohexan-1-amine
• IUPAC Traditional name: N-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
• Synonyms: Methyl-(1-pyrrolidin-1-ylmethyl-cyclohexyl)-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.581608
• LogD (pH = 7.4): -1.4677086
• Log P: 1.9546027
• Molar Refractivity: 61.1573 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%