N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide

C12H23N3O2 — CID 23269502

IUPACN-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide
SMILESCC1(C)N=C(/C=[N+](\[O-])C(C)(C)C)C(C)(C)N1O
InChIInChI=1S/C12H23N3O2/c1-10(2,3)14(16)8-9-11(4,5)15(17)12(6,7)13-9/h8,17H,1-7H3/b14-8-
InChIKeyBXQXIBRRIMDYIU-ZSOIEALJSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds1

About N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide

N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide (PubChem CID 23269502) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide
PubChem CID23269502
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide
SMILESCC1(C)N=C(/C=[N+](\[O-])C(C)(C)C)C(C)(C)N1O
InChIInChI=1S/C12H23N3O2/c1-10(2,3)14(16)8-9-11(4,5)15(17)12(6,7)13-9/h8,17H,1-7H3/b14-8-
InChIKeyBXQXIBRRIMDYIU-ZSOIEALJSA-N
XLogP2.03
TPSA61.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide?
The IUPAC name of N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide (CID 23269502) is N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide?
The canonical SMILES for N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide is CC1(C)N=C(/C=[N+](\[O-])C(C)(C)C)C(C)(C)N1O.
What is the InChIKey of N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide?
The InChIKey is BXQXIBRRIMDYIU-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(2,3)14(16)8-9-11(4,5)15(17)12(6,7)13-9/h8,17H,1-7H3/b14-8-.
What are the key properties of N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide?
N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide has a molecular weight of 241.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanimine oxide is sourced from PubChem (CID 23269502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).