1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine

C13H19N3 — CID 168894222

IUPAC1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1cc(C)cc/c1=N\[H]
InChIInChI=1S/C13H19N3/c1-10-7-8-12(14)16(9-10)13(15)11-5-3-2-4-6-11/h7-9,11,14-15H,2-6H2,1H3/b14-12+,15-13+
InChIKeyYYVZWUNLMYZEDQ-QUMQEAAQSA-N
MW217.32 g/mol
LogP2.68
Rot. Bonds1

About 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine

1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine (PubChem CID 168894222) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
PubChem CID168894222
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1cc(C)cc/c1=N\[H]
InChIInChI=1S/C13H19N3/c1-10-7-8-12(14)16(9-10)13(15)11-5-3-2-4-6-11/h7-9,11,14-15H,2-6H2,1H3/b14-12+,15-13+
InChIKeyYYVZWUNLMYZEDQ-QUMQEAAQSA-N
XLogP2.68
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.68
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-(Cyclohexanecarboximidoyl)-5-fluoropyridin-2-imine
CID 89624425
1-(2-Propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894032
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
CID 168894158
1-(Cyclohexanecarboximidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894242
1-(Cyclohexanecarboximidoyl)-4-fluoropyridin-2-imine
CID 169840914
1-(Cyclohexanecarboximidoyl)-3-(trifluoromethyl)pyridin-2-imine
CID 169841450
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
CID 168894159
2-cyclohex-3-en-1-yl-1-[(3Z,5E)-6,7-dimethyl-10,10a-dihydro-2H-1-benzazocin-1-yl]ethanimine
CID 89531087
3-cyclohexa-2,4-dien-1-yl-N,N-diethylbutanimidamide
CID 126659987
1-Methanimidoyl-5-pentan-2-ylpyridin-2-imine
CID 144857480
(2S,5Z,7Z)-2-cyclohexyl-1-methyl-3,4-dihydro-2H-azonin-9-imine
CID 156075356
1-(Cyclohexanecarboximidoyl)pyridin-2-imine
CID 168893732

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine (CID 168894222) is 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine is [H]/N=C(\C1CCCCC1)n1cc(C)cc/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine?
The InChIKey is YYVZWUNLMYZEDQ-QUMQEAAQSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-7-8-12(14)16(9-10)13(15)11-5-3-2-4-6-11/h7-9,11,14-15H,2-6H2,1H3/b14-12+,15-13+.
What are the key properties of 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine?
1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine has a molecular weight of 217.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-5-methylpyridin-2-imine is sourced from PubChem (CID 168894222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).