5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide

C15H22ClN3O — CID 76944707

IUPAC5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCCC1N(C)c1ccc(Cl)cc1C(N)=NO
InChIInChI=1S/C15H22ClN3O/c1-10-5-3-4-6-13(10)19(2)14-8-7-11(16)9-12(14)15(17)18-20/h7-10,13,20H,3-6H2,1-2H3,(H2,17,18)
InChIKeyUJWXTGYRMVHIDI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.45
Rot. Bonds3

About 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide

5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide (PubChem CID 76944707) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
PubChem CID76944707
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCCC1N(C)c1ccc(Cl)cc1C(N)=NO
InChIInChI=1S/C15H22ClN3O/c1-10-5-3-4-6-13(10)19(2)14-8-7-11(16)9-12(14)15(17)18-20/h7-10,13,20H,3-6H2,1-2H3,(H2,17,18)
InChIKeyUJWXTGYRMVHIDI-UHFFFAOYSA-N
XLogP3.45
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.45
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide (CID 76944707) is 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide is CC1CCCCC1N(C)c1ccc(Cl)cc1C(N)=NO.
What is the InChIKey of 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
The InChIKey is UJWXTGYRMVHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-5-3-4-6-13(10)19(2)14-8-7-11(16)9-12(14)15(17)18-20/h7-10,13,20H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide has a molecular weight of 295.81 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76944707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).