N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide

C12H18N2O — CID 6287497

IUPACN'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide
SMILESCc1cc(C)c(C)c(C/C(N)=N\O)c1C
InChIInChI=1S/C12H18N2O/c1-7-5-8(2)10(4)11(9(7)3)6-12(13)14-15/h5,15H,6H2,1-4H3,(H2,13,14)
InChIKeyGDQMKKDIILVBDI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.21
Rot. Bonds2

About N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide

N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide (PubChem CID 6287497) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide
PubChem CID6287497
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide
SMILESCc1cc(C)c(C)c(C/C(N)=N\O)c1C
InChIInChI=1S/C12H18N2O/c1-7-5-8(2)10(4)11(9(7)3)6-12(13)14-15/h5,15H,6H2,1-4H3,(H2,13,14)
InChIKeyGDQMKKDIILVBDI-UHFFFAOYSA-N
XLogP2.21
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.21
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': '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-(2,3,5,6-tetramethylphenyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide (CID 6287497) is N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide is Cc1cc(C)c(C)c(C/C(N)=N\O)c1C.
What is the InChIKey of N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide?
The InChIKey is GDQMKKDIILVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7-5-8(2)10(4)11(9(7)3)6-12(13)14-15/h5,15H,6H2,1-4H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide?
N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide is sourced from PubChem (CID 6287497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).