1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine

C14H20F3N3 — CID 168894032

IUPAC1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1ccc(C(F)(F)F)c/c1=N\[H]
InChIInChI=1S/C14H20F3N3/c1-3-5-10(6-4-2)13(19)20-8-7-11(9-12(20)18)14(15,16)17/h7-10,18-19H,3-6H2,1-2H3/b18-12+,19-13+
InChIKeyKWUSEEODVFYTSD-KLCVKJMQSA-N
MW287.33 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine

1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine (PubChem CID 168894032) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
PubChem CID168894032
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1ccc(C(F)(F)F)c/c1=N\[H]
InChIInChI=1S/C14H20F3N3/c1-3-5-10(6-4-2)13(19)20-8-7-11(9-12(20)18)14(15,16)17/h7-10,18-19H,3-6H2,1-2H3/b18-12+,19-13+
InChIKeyKWUSEEODVFYTSD-KLCVKJMQSA-N
XLogP4.03
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
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

1-(Cyclohexanecarboximidoyl)-5-fluoropyridin-2-imine
CID 89624425
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
CID 168894158
1-(Cyclohexanecarboximidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894242
cis-(1R,3S)-3-[2-imino-4-(trifluoromethyl)pyridine-1-carboximidoyl]cyclohexan-1-amine
CID 169840789
1-(Cyclohexanecarboximidoyl)-4-fluoropyridin-2-imine
CID 169840914
1-(Cyclohexanecarboximidoyl)-3-(trifluoromethyl)pyridin-2-imine
CID 169841450
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
CID 168894159
1-(Cyclohexanecarboximidoyl)pyridin-2-imine
CID 168893732
1-(2-Propylpentanimidoyl)pyridin-2-imine
CID 168893821
5-Methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
CID 168894107
1-(Cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
CID 168894222
1-[(2S)-2-ethylpentanimidoyl]-2-iminopyridine-4-carbonitrile
CID 168894298

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine (CID 168894032) is 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine is [H]/N=C(\C(CCC)CCC)n1ccc(C(F)(F)F)c/c1=N\[H].
What is the InChIKey of 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine?
The InChIKey is KWUSEEODVFYTSD-KLCVKJMQSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-5-10(6-4-2)13(19)20-8-7-11(9-12(20)18)14(15,16)17/h7-10,18-19H,3-6H2,1-2H3/b18-12+,19-13+.
What are the key properties of 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine?
1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine has a molecular weight of 287.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 168894032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).