cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine

C14H21N3 — CID 168894267

IUPACcyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1ccc(C=C)c/c1=N\[H]
InChIInChI=1S/C8H9N3.C6H12/c1-2-7-3-4-11(6-9)8(10)5-7;1-2-4-6-5-3-1/h2-6,9-10H,1H2;1-6H2/b9-6+,10-8+;
InChIKeyUPOIAGYWBJBBOS-SOLPIYCBSA-N
MW231.34 g/mol
LogP3.41
Rot. Bonds2

About cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine

cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine (PubChem CID 168894267) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine.

Molecular Properties

Compound Namecyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine
PubChem CID168894267
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Namecyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1ccc(C=C)c/c1=N\[H]
InChIInChI=1S/C8H9N3.C6H12/c1-2-7-3-4-11(6-9)8(10)5-7;1-2-4-6-5-3-1/h2-6,9-10H,1H2;1-6H2/b9-6+,10-8+;
InChIKeyUPOIAGYWBJBBOS-SOLPIYCBSA-N
XLogP3.41
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.41
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

Cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
CID 168894279
1,4-Dimethylpyridin-2-imine;ethane
CID 141930235
1-Ethanimidoyl-4-methylpyridin-2-imine
CID 166139658
1-Ethyl-4-methylpyridin-2-imine
CID 166774864
Heptane;2-imino-1-methanimidoylpyridine-4-carbonitrile
CID 168893724
Cyclohexane;1-methanimidoylpyridin-2-imine
CID 168893924
4-Ethenyl-1-methanimidoylpyridin-2-imine
CID 168894268
Cyclohexane;1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine
CID 168894273
Cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine
CID 168894330
1-Methanimidoyl-4-methylpyridin-2-imine
CID 174259553
Ethane;1-ethanimidoyl-4-methylpyridin-2-imine
CID 176567172
1-[6-(2-Imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine
CID 18940799

Frequently Asked Questions

What is the IUPAC name of cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine?
The IUPAC name of cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine (CID 168894267) is cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine.
What is the SMILES notation for cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine?
The canonical SMILES for cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine is C1CCCCC1.[H]/N=C/n1ccc(C=C)c/c1=N\[H].
What is the InChIKey of cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine?
The InChIKey is UPOIAGYWBJBBOS-SOLPIYCBSA-N. The full InChI is InChI=1S/C8H9N3.C6H12/c1-2-7-3-4-11(6-9)8(10)5-7;1-2-4-6-5-3-1/h2-6,9-10H,1H2;1-6H2/b9-6+,10-8+;.
What are the key properties of cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine?
cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine has a molecular weight of 231.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine is sourced from PubChem (CID 168894267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).