5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide

C15H22BrN3O — CID 114892468

IUPAC5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCC(N(C)c2ccc(Br)cc2/C(N)=N/O)C1
InChIInChI=1S/C15H22BrN3O/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(16)9-13(14)15(17)18-20/h6-7,9-10,12,20H,3-5,8H2,1-2H3,(H2,17,18)
InChIKeyORWOQQBDHBYTGQ-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.56
Rot. Bonds3

About 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide

5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide (PubChem CID 114892468) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
PubChem CID114892468
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCC(N(C)c2ccc(Br)cc2/C(N)=N/O)C1
InChIInChI=1S/C15H22BrN3O/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(16)9-13(14)15(17)18-20/h6-7,9-10,12,20H,3-5,8H2,1-2H3,(H2,17,18)
InChIKeyORWOQQBDHBYTGQ-UHFFFAOYSA-N
XLogP3.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.56
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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Related Compounds

5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387
5-bromo-2-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 114895667
1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824
N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 61446172
5-bromo-2-[cyclopentyl(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892619
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
5-chloro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 63520647
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
5-bromo-2-[cyclopropyl(cyclopropylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892588
4-bromo-N'-hydroxy-2-[methyl(thiolan-3-yl)amino]benzenecarboximidamide
CID 114903894
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide (CID 114892468) is 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide is CC1CCCC(N(C)c2ccc(Br)cc2/C(N)=N/O)C1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The InChIKey is ORWOQQBDHBYTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(16)9-13(14)15(17)18-20/h6-7,9-10,12,20H,3-5,8H2,1-2H3,(H2,17,18).
What are the key properties of 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide has a molecular weight of 340.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide is sourced from PubChem (CID 114892468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).