4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide

C15H24BrN3O — CID 107278596

IUPAC4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
SMILESCC(C)CN(CC(C)C)c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C15H24BrN3O/c1-10(2)8-19(9-11(3)4)12-5-6-13(14(16)7-12)15(17)18-20/h5-7,10-11,20H,8-9H2,1-4H3,(H2,17,18)
InChIKeyZSRPZONBZZEKCR-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.66
Rot. Bonds6

About 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide

4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide (PubChem CID 107278596) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
PubChem CID107278596
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
SMILESCC(C)CN(CC(C)C)c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C15H24BrN3O/c1-10(2)8-19(9-11(3)4)12-5-6-13(14(16)7-12)15(17)18-20/h5-7,10-11,20H,8-9H2,1-4H3,(H2,17,18)
InChIKeyZSRPZONBZZEKCR-UHFFFAOYSA-N
XLogP3.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.66
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'}

Analyze 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 107278810
2-bromo-N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107278742
2-bromo-N'-hydroxy-4-[2-methoxyethyl(3-methoxypropyl)amino]benzenecarboximidamide
CID 107278647
2-[3-bromo-4-carbamothioyl-N-(2-methylpropyl)anilino]acetamide
CID 107277610
2-bromo-4-[ethyl(2-methylpropyl)amino]benzoic acid
CID 107281883
4-bromo-N'-hydroxy-2-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114903890
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
CID 107279228
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
2-bromo-4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107278620
2-bromo-N'-hydroxy-4-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 107278600
2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 107278693
2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 107279012

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide (CID 107278596) is 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide is CC(C)CN(CC(C)C)c1ccc(/C(N)=N/O)c(Br)c1.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZSRPZONBZZEKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-10(2)8-19(9-11(3)4)12-5-6-13(14(16)7-12)15(17)18-20/h5-7,10-11,20H,8-9H2,1-4H3,(H2,17,18).
What are the key properties of 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide?
4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide has a molecular weight of 342.28 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).