4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide

C10H14N2O — CID 121428385

IUPAC4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESCCc1ccc(/C(=N/C)NO)cc1
InChIInChI=1S/C10H14N2O/c1-3-8-4-6-9(7-5-8)10(11-2)12-13/h4-7,13H,3H2,1-2H3,(H,11,12)
InChIKeyVHRJZOXEKBYVOR-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.60
Rot. Bonds2

About 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide

4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide (PubChem CID 121428385) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide
PubChem CID121428385
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESCCc1ccc(/C(=N/C)NO)cc1
InChIInChI=1S/C10H14N2O/c1-3-8-4-6-9(7-5-8)10(11-2)12-13/h4-7,13H,3H2,1-2H3,(H,11,12)
InChIKeyVHRJZOXEKBYVOR-UHFFFAOYSA-N
XLogP1.60
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide (CID 121428385) is 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide is CCc1ccc(/C(=N/C)NO)cc1.
What is the InChIKey of 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is VHRJZOXEKBYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-8-4-6-9(7-5-8)10(11-2)12-13/h4-7,13H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide?
4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 178.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 121428385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).