ethane;1-methanimidoyl-3-methylpyridin-2-imine

C9H15N3 — CID 177143805

IUPACethane;1-methanimidoyl-3-methylpyridin-2-imine
SMILESCC.[H]/N=C/n1cccc(C)/c1=N\[H]
InChIInChI=1S/C7H9N3.C2H6/c1-6-3-2-4-10(5-8)7(6)9;1-2/h2-5,8-9H,1H3;1-2H3/b8-5+,9-7+;
InChIKeyCKNGNGALQLSNMR-DRQDVJCFSA-N
MW165.24 g/mol
LogP1.76
Rot. Bonds1

About ethane;1-methanimidoyl-3-methylpyridin-2-imine

ethane;1-methanimidoyl-3-methylpyridin-2-imine (PubChem CID 177143805) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;1-methanimidoyl-3-methylpyridin-2-imine.

Molecular Properties

Compound Nameethane;1-methanimidoyl-3-methylpyridin-2-imine
PubChem CID177143805
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;1-methanimidoyl-3-methylpyridin-2-imine
SMILESCC.[H]/N=C/n1cccc(C)/c1=N\[H]
InChIInChI=1S/C7H9N3.C2H6/c1-6-3-2-4-10(5-8)7(6)9;1-2/h2-5,8-9H,1H3;1-2H3/b8-5+,9-7+;
InChIKeyCKNGNGALQLSNMR-DRQDVJCFSA-N
XLogP1.76
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.76
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

2-Imino-1-methylpyridine-3-carbonitrile;hydroiodide
CID 90654290
5-Fluoro-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 90907075
1-Methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
CID 168894280
1,3-Dimethylpyridin-2-imine
CID 21793965
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153
(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
CID 90151974
1-Methanimidoyl-3-methylpyridin-2-imine
CID 124030584
1-(2-Methylprop-1-enyl)pyridin-2-imine
CID 141793060
Ethane;1-methylpyridin-2-imine
CID 142176496
1-[(E)-prop-1-enyl]pyridin-2-imine
CID 143176517
N-ethenyl-1,3-dimethylpyridin-2-imine
CID 144098483
Ethane;1-methanimidoyl-5-methylpyridin-2-imine
CID 144213420

Frequently Asked Questions

What is the IUPAC name of ethane;1-methanimidoyl-3-methylpyridin-2-imine?
The IUPAC name of ethane;1-methanimidoyl-3-methylpyridin-2-imine (CID 177143805) is ethane;1-methanimidoyl-3-methylpyridin-2-imine.
What is the SMILES notation for ethane;1-methanimidoyl-3-methylpyridin-2-imine?
The canonical SMILES for ethane;1-methanimidoyl-3-methylpyridin-2-imine is CC.[H]/N=C/n1cccc(C)/c1=N\[H].
What is the InChIKey of ethane;1-methanimidoyl-3-methylpyridin-2-imine?
The InChIKey is CKNGNGALQLSNMR-DRQDVJCFSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-6-3-2-4-10(5-8)7(6)9;1-2/h2-5,8-9H,1H3;1-2H3/b8-5+,9-7+;.
What are the key properties of ethane;1-methanimidoyl-3-methylpyridin-2-imine?
ethane;1-methanimidoyl-3-methylpyridin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methanimidoyl-3-methylpyridin-2-imine is sourced from PubChem (CID 177143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).