2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine

C11H17F2N3 — CID 112676161

IUPAC2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ncc(F)cc1F
InChIInChI=1S/C11H17F2N3/c1-3-11(4-2,7-14)16-10-9(13)5-8(12)6-15-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyFHSKHUWDGZTKTH-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.29
Rot. Bonds5

About 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine

2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine (PubChem CID 112676161) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine
PubChem CID112676161
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(CC)(CN)Nc1ncc(F)cc1F
InChIInChI=1S/C11H17F2N3/c1-3-11(4-2,7-14)16-10-9(13)5-8(12)6-15-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyFHSKHUWDGZTKTH-UHFFFAOYSA-N
XLogP2.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
1-(2-Pyridyl)piperazine
CID 94459
2-Pyridinamine, N-methyl-
CID 20727
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
N-Cyclohexylpyridin-2-amine
CID 84957
2-Allylaminopyridine
CID 260916
1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
CID 667618
N-(propan-2-yl)pyridin-2-amine
CID 2366450
2-N-methylpyridine-2,3-diamine
CID 12343669

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine (CID 112676161) is 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine is CCC(CC)(CN)Nc1ncc(F)cc1F.
What is the InChIKey of 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The InChIKey is FHSKHUWDGZTKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-3-11(4-2,7-14)16-10-9(13)5-8(12)6-15-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine has a molecular weight of 229.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluoro-2-pyridinyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 112676161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).