ethane;5-ethyl-1-methanimidoylpyridin-2-imine

C10H17N3 — CID 145188459

IUPACethane;5-ethyl-1-methanimidoylpyridin-2-imine
SMILESCC.[H]/N=C/n1cc(CC)cc/c1=N\[H]
InChIInChI=1S/C8H11N3.C2H6/c1-2-7-3-4-8(10)11(5-7)6-9;1-2/h3-6,9-10H,2H2,1H3;1-2H3/b9-6+,10-8+;
InChIKeyPXLVPCVNWIMXRL-SOLPIYCBSA-N
MW179.27 g/mol
LogP2.01
Rot. Bonds2

About ethane;5-ethyl-1-methanimidoylpyridin-2-imine

ethane;5-ethyl-1-methanimidoylpyridin-2-imine (PubChem CID 145188459) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;5-ethyl-1-methanimidoylpyridin-2-imine.

Molecular Properties

Compound Nameethane;5-ethyl-1-methanimidoylpyridin-2-imine
PubChem CID145188459
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;5-ethyl-1-methanimidoylpyridin-2-imine
SMILESCC.[H]/N=C/n1cc(CC)cc/c1=N\[H]
InChIInChI=1S/C8H11N3.C2H6/c1-2-7-3-4-8(10)11(5-7)6-9;1-2/h3-6,9-10H,2H2,1H3;1-2H3/b9-6+,10-8+;
InChIKeyPXLVPCVNWIMXRL-SOLPIYCBSA-N
XLogP2.01
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.01
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

(2e)-1,4-Dimethylpyridin-2(1h)-imine
CID 288604
4-But-3-enyl-3,5-difluoro-1-methanimidoylpyridin-2-imine
CID 172299250
4-Fluoro-1-methyl-5-propylpyridin-2-imine
CID 177040425
5-Fluoro-1-methanimidoyl-4-methylpyridin-2-imine
CID 172299341
2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
CID 54460297
1,4-Ditert-butylpyridin-2-imine
CID 59116553
1-Butyl-5-tert-butylpyridin-2-imine
CID 66643174
4-Tert-butyl-1-butylpyridin-2(1h)-imine
CID 66643290
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1,5-Dimethylpyridin-2-imine
CID 70512128
1,4,5-Trimethylpyridin-2-imine
CID 89231210
5-Methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 91128581

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-methanimidoylpyridin-2-imine?
The IUPAC name of ethane;5-ethyl-1-methanimidoylpyridin-2-imine (CID 145188459) is ethane;5-ethyl-1-methanimidoylpyridin-2-imine.
What is the SMILES notation for ethane;5-ethyl-1-methanimidoylpyridin-2-imine?
The canonical SMILES for ethane;5-ethyl-1-methanimidoylpyridin-2-imine is CC.[H]/N=C/n1cc(CC)cc/c1=N\[H].
What is the InChIKey of ethane;5-ethyl-1-methanimidoylpyridin-2-imine?
The InChIKey is PXLVPCVNWIMXRL-SOLPIYCBSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-2-7-3-4-8(10)11(5-7)6-9;1-2/h3-6,9-10H,2H2,1H3;1-2H3/b9-6+,10-8+;.
What are the key properties of ethane;5-ethyl-1-methanimidoylpyridin-2-imine?
ethane;5-ethyl-1-methanimidoylpyridin-2-imine has a molecular weight of 179.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-methanimidoylpyridin-2-imine is sourced from PubChem (CID 145188459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).