N-(2,3,5,6-tetramethylphenyl)ethanimine oxide

C12H17NO — CID 86021576

IUPACN-(2,3,5,6-tetramethylphenyl)ethanimine oxide
SMILESCC=[N+]([O-])c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C12H17NO/c1-6-13(14)12-10(4)8(2)7-9(3)11(12)5/h6-7H,1-5H3
InChIKeyGKLWXPUTFYHBQG-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.15
Rot. Bonds1

About N-(2,3,5,6-tetramethylphenyl)ethanimine oxide

N-(2,3,5,6-tetramethylphenyl)ethanimine oxide (PubChem CID 86021576) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2,3,5,6-tetramethylphenyl)ethanimine oxide.

Molecular Properties

Compound NameN-(2,3,5,6-tetramethylphenyl)ethanimine oxide
PubChem CID86021576
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2,3,5,6-tetramethylphenyl)ethanimine oxide
SMILESCC=[N+]([O-])c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C12H17NO/c1-6-13(14)12-10(4)8(2)7-9(3)11(12)5/h6-7H,1-5H3
InChIKeyGKLWXPUTFYHBQG-UHFFFAOYSA-N
XLogP3.15
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetramethylphenyl)ethanimine oxide?
The IUPAC name of N-(2,3,5,6-tetramethylphenyl)ethanimine oxide (CID 86021576) is N-(2,3,5,6-tetramethylphenyl)ethanimine oxide.
What is the SMILES notation for N-(2,3,5,6-tetramethylphenyl)ethanimine oxide?
The canonical SMILES for N-(2,3,5,6-tetramethylphenyl)ethanimine oxide is CC=[N+]([O-])c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-(2,3,5,6-tetramethylphenyl)ethanimine oxide?
The InChIKey is GKLWXPUTFYHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-6-13(14)12-10(4)8(2)7-9(3)11(12)5/h6-7H,1-5H3.
What are the key properties of N-(2,3,5,6-tetramethylphenyl)ethanimine oxide?
N-(2,3,5,6-tetramethylphenyl)ethanimine oxide has a molecular weight of 191.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetramethylphenyl)ethanimine oxide is sourced from PubChem (CID 86021576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).