N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide

C13H20N2O2 — CID 107930162

IUPACN'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILESCCC(C)(C)Oc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C13H20N2O2/c1-5-13(3,4)17-11-7-6-9(2)8-10(11)12(14)15-16/h6-8,16H,5H2,1-4H3,(H2,14,15)
InChIKeyDVCKCFNNPAUJOI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.66
Rot. Bonds4

About N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide

N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide (PubChem CID 107930162) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
PubChem CID107930162
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILESCCC(C)(C)Oc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C13H20N2O2/c1-5-13(3,4)17-11-7-6-9(2)8-10(11)12(14)15-16/h6-8,16H,5H2,1-4H3,(H2,14,15)
InChIKeyDVCKCFNNPAUJOI-UHFFFAOYSA-N
XLogP2.66
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.66
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'}

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Related Compounds

N'-hydroxy-2-(2-methylbutan-2-yloxy)-5-nitrobenzenecarboximidamide
CID 76935214
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
3-bromo-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 82798865
3-chloro-N'-hydroxy-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 76984471
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
N'-hydroxy-4-(2-methylbutan-2-yloxy)-3-nitrobenzenecarboximidamide
CID 76935052
N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
CID 107930155
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide (CID 107930162) is N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide is CCC(C)(C)Oc1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The InChIKey is DVCKCFNNPAUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-13(3,4)17-11-7-6-9(2)8-10(11)12(14)15-16/h6-8,16H,5H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 107930162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).