N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide

C13H21N3O — CID 77014182

IUPACN'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
SMILESCCC(C)(C)N(C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H21N3O/c1-5-13(2,3)16(4)11-8-6-10(7-9-11)12(14)15-17/h6-9,17H,5H2,1-4H3,(H2,14,15)
InChIKeyFTCWCOGBFIYNBM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds4

About N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide

N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide (PubChem CID 77014182) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
PubChem CID77014182
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
SMILESCCC(C)(C)N(C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H21N3O/c1-5-13(2,3)16(4)11-8-6-10(7-9-11)12(14)15-17/h6-9,17H,5H2,1-4H3,(H2,14,15)
InChIKeyFTCWCOGBFIYNBM-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
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 N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide (CID 77014182) is N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide is CCC(C)(C)N(C)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide?
The InChIKey is FTCWCOGBFIYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-13(2,3)16(4)11-8-6-10(7-9-11)12(14)15-17/h6-9,17H,5H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 77014182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).