1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine

C11H16FN3 — CID 142489675

IUPAC1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine
SMILES[H]/N=C(\CC(C)(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H16FN3/c1-11(2,3)6-10(14)15-7-8(12)4-5-9(15)13/h4-5,7,13-14H,6H2,1-3H3/b13-9+,14-10+
InChIKeyPDYIOIMMNZXLAT-UTLPMFLDSA-N
MW209.27 g/mol
LogP2.37
Rot. Bonds1

About 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine

1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine (PubChem CID 142489675) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine.

Molecular Properties

Compound Name1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine
PubChem CID142489675
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine
SMILES[H]/N=C(\CC(C)(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H16FN3/c1-11(2,3)6-10(14)15-7-8(12)4-5-9(15)13/h4-5,7,13-14H,6H2,1-3H3/b13-9+,14-10+
InChIKeyPDYIOIMMNZXLAT-UTLPMFLDSA-N
XLogP2.37
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.37
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

5-fluoro-1-[(3R)-1-methylpyrrolidine-3-carboximidoyl]pyridin-2-imine
CID 89624957
5-Fluoro-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 90907075
1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine
CID 123283292
5-Fluoro-1-(1-methylcyclopropanecarboximidoyl)pyridin-2-imine
CID 142489690
5-Fluoro-1-(3-methylbutanimidoyl)pyridin-2-imine
CID 156393870
1-Butyl-5-tert-butylpyridin-2-imine
CID 66643174

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine?
The IUPAC name of 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine (CID 142489675) is 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine.
What is the SMILES notation for 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine?
The canonical SMILES for 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine is [H]/N=C(\CC(C)(C)C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine?
The InChIKey is PDYIOIMMNZXLAT-UTLPMFLDSA-N. The full InChI is InChI=1S/C11H16FN3/c1-11(2,3)6-10(14)15-7-8(12)4-5-9(15)13/h4-5,7,13-14H,6H2,1-3H3/b13-9+,14-10+.
What are the key properties of 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine?
1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine has a molecular weight of 209.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanimidoyl)-5-fluoropyridin-2-imine is sourced from PubChem (CID 142489675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).