2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide

C15H22BrN3O — CID 114883200

IUPAC2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCCC1N(C)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H22BrN3O/c1-10-6-3-4-8-12(10)19(2)13-9-5-7-11(16)14(13)15(17)18-20/h5,7,9-10,12,20H,3-4,6,8H2,1-2H3,(H2,17,18)
InChIKeyDXJWILLPKQRNHU-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.56
Rot. Bonds3

About 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide

2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide (PubChem CID 114883200) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
PubChem CID114883200
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
SMILESCC1CCCCC1N(C)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C15H22BrN3O/c1-10-6-3-4-8-12(10)19(2)13-9-5-7-11(16)14(13)15(17)18-20/h5,7,9-10,12,20H,3-4,6,8H2,1-2H3,(H2,17,18)
InChIKeyDXJWILLPKQRNHU-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

2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 114883244
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
2-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883124
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174
5-chloro-N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 76944707
2-bromo-6-[cyclopentyl(methyl)amino]benzenecarbothioamide
CID 114881958
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 54942906
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883323
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 114883224
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide (CID 114883200) is 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide is CC1CCCCC1N(C)c1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
The InChIKey is DXJWILLPKQRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10-6-3-4-8-12(10)19(2)13-9-5-7-11(16)14(13)15(17)18-20/h5,7,9-10,12,20H,3-4,6,8H2,1-2H3,(H2,17,18).
What are the key properties of 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide?
2-bromo-N'-hydroxy-6-[methyl-(2-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 2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide is sourced from PubChem (CID 114883200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).