1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane

C15H22F3N3O — CID 168894158

IUPAC1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
SMILESCOC.[H]/N=C(\C1CCCCC1)n1cc(C(F)(F)F)cc/c1=N\[H]
InChIInChI=1S/C13H16F3N3.C2H6O/c14-13(15,16)10-6-7-11(17)19(8-10)12(18)9-4-2-1-3-5-9;1-3-2/h6-9,17-18H,1-5H2;1-2H3/b17-11+,18-12+;
InChIKeyZDUBJHLJINUJGK-OYJDLGDISA-N
MW317.35 g/mol
LogP3.65
Rot. Bonds1

About 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane

1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane (PubChem CID 168894158) has the molecular formula C15H22F3N3O and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
PubChem CID168894158
Molecular FormulaC15H22F3N3O
Molecular Weight317.35 g/mol
Exact Mass317.17
IUPAC Name1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
SMILESCOC.[H]/N=C(\C1CCCCC1)n1cc(C(F)(F)F)cc/c1=N\[H]
InChIInChI=1S/C13H16F3N3.C2H6O/c14-13(15,16)10-6-7-11(17)19(8-10)12(18)9-4-2-1-3-5-9;1-3-2/h6-9,17-18H,1-5H2;1-2H3/b17-11+,18-12+;
InChIKeyZDUBJHLJINUJGK-OYJDLGDISA-N
XLogP3.65
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-Propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894032
1-(Cyclohexanecarboximidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894242
1-(Cyclohexanecarboximidoyl)-3-(trifluoromethyl)pyridin-2-imine
CID 169841450
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
CID 168894159
5-Methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
CID 168894107
1-(Cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
CID 168894222

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane (CID 168894158) is 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane is COC.[H]/N=C(\C1CCCCC1)n1cc(C(F)(F)F)cc/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane?
The InChIKey is ZDUBJHLJINUJGK-OYJDLGDISA-N. The full InChI is InChI=1S/C13H16F3N3.C2H6O/c14-13(15,16)10-6-7-11(17)19(8-10)12(18)9-4-2-1-3-5-9;1-3-2/h6-9,17-18H,1-5H2;1-2H3/b17-11+,18-12+;.
What are the key properties of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane?
1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane has a molecular weight of 317.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane is sourced from PubChem (CID 168894158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).