N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide

C10H14N2O3 — CID 19437932

IUPACN'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
SMILESCOc1cc(C)cc(OC)c1/C(N)=N/O
InChIInChI=1S/C10H14N2O3/c1-6-4-7(14-2)9(10(11)12-13)8(5-6)15-3/h4-5,13H,1-3H3,(H2,11,12)
InChIKeyHSOFIXJUJJNHDK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.11
Rot. Bonds3

About N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide

N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide (PubChem CID 19437932) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
PubChem CID19437932
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
SMILESCOc1cc(C)cc(OC)c1/C(N)=N/O
InChIInChI=1S/C10H14N2O3/c1-6-4-7(14-2)9(10(11)12-13)8(5-6)15-3/h4-5,13H,1-3H3,(H2,11,12)
InChIKeyHSOFIXJUJJNHDK-UHFFFAOYSA-N
XLogP1.11
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2,6-dimethoxy-4-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide (CID 19437932) is N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide is COc1cc(C)cc(OC)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide?
The InChIKey is HSOFIXJUJJNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-4-7(14-2)9(10(11)12-13)8(5-6)15-3/h4-5,13H,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide?
N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 19437932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).