1-(cyclohexanecarboximidoyl)pyridin-2-imine

C12H17N3 — CID 168893732

IUPAC1-(cyclohexanecarboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1cccc/c1=N\[H]
InChIInChI=1S/C12H17N3/c13-11-8-4-5-9-15(11)12(14)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2/b13-11+,14-12+
InChIKeyYFPWWGDGWWAWHZ-PHEQNACWSA-N
MW203.29 g/mol
LogP2.37
Rot. Bonds1

About 1-(cyclohexanecarboximidoyl)pyridin-2-imine

1-(cyclohexanecarboximidoyl)pyridin-2-imine (PubChem CID 168893732) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)pyridin-2-imine.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)pyridin-2-imine
PubChem CID168893732
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(cyclohexanecarboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1cccc/c1=N\[H]
InChIInChI=1S/C12H17N3/c13-11-8-4-5-9-15(11)12(14)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2/b13-11+,14-12+
InChIKeyYFPWWGDGWWAWHZ-PHEQNACWSA-N
XLogP2.37
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarboximidoyl)pyridin-2-imine?
The IUPAC name of 1-(cyclohexanecarboximidoyl)pyridin-2-imine (CID 168893732) is 1-(cyclohexanecarboximidoyl)pyridin-2-imine.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)pyridin-2-imine?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)pyridin-2-imine is [H]/N=C(\C1CCCCC1)n1cccc/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)pyridin-2-imine?
The InChIKey is YFPWWGDGWWAWHZ-PHEQNACWSA-N. The full InChI is InChI=1S/C12H17N3/c13-11-8-4-5-9-15(11)12(14)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2/b13-11+,14-12+.
What are the key properties of 1-(cyclohexanecarboximidoyl)pyridin-2-imine?
1-(cyclohexanecarboximidoyl)pyridin-2-imine has a molecular weight of 203.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)pyridin-2-imine is sourced from PubChem (CID 168893732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).