cyclohexane;1-methanimidoylpyridin-2-imine

C12H19N3 — CID 168893924

IUPACcyclohexane;1-methanimidoylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1cccc/c1=N\[H]
InChIInChI=1S/C6H7N3.C6H12/c7-5-9-4-2-1-3-6(9)8;1-2-4-6-5-3-1/h1-5,7-8H;1-6H2/b7-5+,8-6+;
InChIKeyINIUGZVAZPEUDD-PUFOULASSA-N
MW205.31 g/mol
LogP2.76
Rot. Bonds1

About cyclohexane;1-methanimidoylpyridin-2-imine

cyclohexane;1-methanimidoylpyridin-2-imine (PubChem CID 168893924) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is cyclohexane;1-methanimidoylpyridin-2-imine.

Molecular Properties

Compound Namecyclohexane;1-methanimidoylpyridin-2-imine
PubChem CID168893924
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Namecyclohexane;1-methanimidoylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1cccc/c1=N\[H]
InChIInChI=1S/C6H7N3.C6H12/c7-5-9-4-2-1-3-6(9)8;1-2-4-6-5-3-1/h1-5,7-8H;1-6H2/b7-5+,8-6+;
InChIKeyINIUGZVAZPEUDD-PUFOULASSA-N
XLogP2.76
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.76
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

1-Prop-2-enylpyridin-2-imine
CID 10866378
1-Methanimidoylpyridin-2-imine
CID 69916775
Ethane;1-ethenylpyridin-2-imine;propane
CID 142516266
Ethane;1-methanimidoylpyridin-2-imine
CID 144475847
Ethane;1-ethenylpyridin-2-imine
CID 145424502
ethane;1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 153589208
5-Bromo-1-methanimidoylpyridin-2-imine;cyclohexane
CID 168893784
Cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine
CID 168894267
Cyclohexane;1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine
CID 168894273
1-Methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine
CID 168894274
1-Hexylpyridin-2-imine
CID 12924178

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-methanimidoylpyridin-2-imine?
The IUPAC name of cyclohexane;1-methanimidoylpyridin-2-imine (CID 168893924) is cyclohexane;1-methanimidoylpyridin-2-imine.
What is the SMILES notation for cyclohexane;1-methanimidoylpyridin-2-imine?
The canonical SMILES for cyclohexane;1-methanimidoylpyridin-2-imine is C1CCCCC1.[H]/N=C/n1cccc/c1=N\[H].
What is the InChIKey of cyclohexane;1-methanimidoylpyridin-2-imine?
The InChIKey is INIUGZVAZPEUDD-PUFOULASSA-N. The full InChI is InChI=1S/C6H7N3.C6H12/c7-5-9-4-2-1-3-6(9)8;1-2-4-6-5-3-1/h1-5,7-8H;1-6H2/b7-5+,8-6+;.
What are the key properties of cyclohexane;1-methanimidoylpyridin-2-imine?
cyclohexane;1-methanimidoylpyridin-2-imine has a molecular weight of 205.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-methanimidoylpyridin-2-imine is sourced from PubChem (CID 168893924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).