2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C13H18BrN3O — CID 114883247

IUPAC2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CC1CCC1)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C13H18BrN3O/c1-17(8-9-4-2-5-9)11-7-3-6-10(14)12(11)13(15)16-18/h3,6-7,9,18H,2,4-5,8H2,1H3,(H2,15,16)
InChIKeyUXOUDGSTXYGHAR-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.78
Rot. Bonds4

About 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114883247) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID114883247
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CC1CCC1)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C13H18BrN3O/c1-17(8-9-4-2-5-9)11-7-3-6-10(14)12(11)13(15)16-18/h3,6-7,9,18H,2,4-5,8H2,1H3,(H2,15,16)
InChIKeyUXOUDGSTXYGHAR-UHFFFAOYSA-N
XLogP2.78
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.78
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-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883323
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 114883244
2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 114883200
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
2-bromo-N'-hydroxy-6-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114883137
2-[cyclobutylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79519658
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
2-bromo-6-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarbothioamide
CID 114882516
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174
2-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883124
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 114883247) is 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(CC1CCC1)c1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is UXOUDGSTXYGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-17(8-9-4-2-5-9)11-7-3-6-10(14)12(11)13(15)16-18/h3,6-7,9,18H,2,4-5,8H2,1H3,(H2,15,16).
What are the key properties of 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 312.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).