1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine

C11H17FN4 — CID 123283292

IUPAC1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine
SMILES[H]/N=C(/n1cc(F)cc/c1=N\[H])C(C)(C)N(C)C
InChIInChI=1S/C11H17FN4/c1-11(2,15(3)4)10(14)16-7-8(12)5-6-9(16)13/h5-7,13-14H,1-4H3/b13-9+,14-10+
InChIKeyJCMSJYHZMVOEBK-UTLPMFLDSA-N
MW224.28 g/mol
LogP1.27
Rot. Bonds2

About 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine

1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine (PubChem CID 123283292) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine
PubChem CID123283292
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine
SMILES[H]/N=C(/n1cc(F)cc/c1=N\[H])C(C)(C)N(C)C
InChIInChI=1S/C11H17FN4/c1-11(2,15(3)4)10(14)16-7-8(12)5-6-9(16)13/h5-7,13-14H,1-4H3/b13-9+,14-10+
InChIKeyJCMSJYHZMVOEBK-UTLPMFLDSA-N
XLogP1.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.27
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

5-Fluoro-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 90907075
5-Fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
CID 123505765
3-(5-fluoro-2-imino-1-pyridinyl)-3-imino-1-N-propylpropane-1,2-diamine
CID 123589691
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
CID 129302384
5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine
CID 129311871
1-(3,3-Dimethylbutanimidoyl)-5-fluoropyridin-2-imine
CID 142489675
1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine
CID 142489736
1-(5-fluoro-2-iminopyridine-1-carboximidoyl)-N,N-dimethylcyclopentan-1-amine
CID 145588271
5-Fluoro-1-[3-(4-methylpiperazin-1-yl)propanimidoyl]pyridin-2-imine
CID 145588449
1-(1,2-Dimethylpyrrolidine-2-carboximidoyl)-5-fluoropyridin-2-imine
CID 155332735
(E)-2-(5-fluoro-2-imino-1-pyridinyl)-3-N-iodo-3-N,3-dimethylbut-1-ene-1,3-diamine
CID 164102297
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane
CID 145338897

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine (CID 123283292) is 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine is [H]/N=C(/n1cc(F)cc/c1=N\[H])C(C)(C)N(C)C.
What is the InChIKey of 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine?
The InChIKey is JCMSJYHZMVOEBK-UTLPMFLDSA-N. The full InChI is InChI=1S/C11H17FN4/c1-11(2,15(3)4)10(14)16-7-8(12)5-6-9(16)13/h5-7,13-14H,1-4H3/b13-9+,14-10+.
What are the key properties of 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine?
1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 123283292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).