N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide

C18H24F3N3O — CID 10338281

IUPACN'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide
SMILESFC(F)(F)c1cccc(N/C(=N/C2CCCCC2)N2CCOCC2)c1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)14-5-4-8-16(13-14)23-17(24-9-11-25-12-10-24)22-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,22,23)
InChIKeyCAXOQJVVYKEFOG-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.14
Rot. Bonds2

About N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide

N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide (PubChem CID 10338281) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide
PubChem CID10338281
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide
SMILESFC(F)(F)c1cccc(N/C(=N/C2CCCCC2)N2CCOCC2)c1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)14-5-4-8-16(13-14)23-17(24-9-11-25-12-10-24)22-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,22,23)
InChIKeyCAXOQJVVYKEFOG-UHFFFAOYSA-N
XLogP4.14
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide?
The IUPAC name of N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide (CID 10338281) is N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide is FC(F)(F)c1cccc(N/C(=N/C2CCCCC2)N2CCOCC2)c1.
What is the InChIKey of N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide?
The InChIKey is CAXOQJVVYKEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)14-5-4-8-16(13-14)23-17(24-9-11-25-12-10-24)22-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,22,23).
What are the key properties of N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide?
N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide has a molecular weight of 355.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide is sourced from PubChem (CID 10338281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).