N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide

C13H17F3N4O — CID 122096289

IUPACN'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCc1cccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-3-1-2-10(19-11)4-5-18-12(17)20-6-8-21-9-7-20/h1-3H,4-9H2,(H2,17,18)
InChIKeyBQUHCOMPLWNLQG-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.29
Rot. Bonds3

About N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide

N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide (PubChem CID 122096289) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide
PubChem CID122096289
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCc1cccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-3-1-2-10(19-11)4-5-18-12(17)20-6-8-21-9-7-20/h1-3H,4-9H2,(H2,17,18)
InChIKeyBQUHCOMPLWNLQG-UHFFFAOYSA-N
XLogP1.29
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
CID 75493971
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
N'-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111081716
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111080854
N'-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine-4-carboximidamide
CID 111823141
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
CID 111813018
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170

Frequently Asked Questions

What is the IUPAC name of N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide (CID 122096289) is N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide is N/C(=N\CCc1cccc(C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide?
The InChIKey is BQUHCOMPLWNLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)11-3-1-2-10(19-11)4-5-18-12(17)20-6-8-21-9-7-20/h1-3H,4-9H2,(H2,17,18).
What are the key properties of N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide?
N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide has a molecular weight of 302.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 122096289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).