N-[N-(4-ethylmorpholin-2-yl)carboximidoyl]cyclohexanamine

• ChemBase ID: 109467
• Molecular Formular: C13H23N3O
• Molecular Mass: 237.34122
• Monoisotopic Mass: 237.18411237
• SMILES: CCN1CCOC(C1)N=C=NC1CCCCC1
• Canonical SMILES: CCN1CCOC(C1)N=C=NC1CCCCC1
• InChI: InChI=1S/C13H23N3O/c1-2-16-8-9-17-13(10-16)15-11-14-12-6-4-3-5-7-12/h12-13H,2-10H2,1H3
• InChIKey: RWQVFKTZTJCTCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[N-(4-ethylmorpholin-2-yl)carboximidoyl]cyclohexanamine
• IUPAC Traditional name: N-[N-(4-ethylmorpholin-2-yl)carboximidoyl]cyclohexanamine
• Synonyms: 1-CYCLOHEXYL-3-(2-MORPHOLINYL-4-ETHYL)CARBODIIMIDE (ME-P-TOL. SULFONATE)

Database IDs

• PubChem SID: 162106307
• PubChem CID: 18466248

CALCULATED PROPERTIES

• Acid pKa: 18.430458
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7874887
• LogD (pH = 7.4): 2.4550917
• Log P: 2.4758186
• Molar Refractivity: 67.886 cm^3
• Polarizability: 26.58122 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05211160

MP Biomedicals Rare Chemical collection