N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide

C19H31NO2 — CID 6294788

IUPACN-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide
SMILESCC(C)(C)c1ccc(/C=[N+](\[O-])C(C)(C)C)c(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-17(2,3)14-11-10-13(12-20(22)19(7,8)9)15(16(14)21)18(4,5)6/h10-12,21H,1-9H3/b20-12-
InChIKeyUENLIZGOGLIYMY-NDENLUEZSA-N
MW305.46 g/mol
LogP4.71
Rot. Bonds1

About N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide

N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide (PubChem CID 6294788) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide
PubChem CID6294788
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide
SMILESCC(C)(C)c1ccc(/C=[N+](\[O-])C(C)(C)C)c(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-17(2,3)14-11-10-13(12-20(22)19(7,8)9)15(16(14)21)18(4,5)6/h10-12,21H,1-9H3/b20-12-
InChIKeyUENLIZGOGLIYMY-NDENLUEZSA-N
XLogP4.71
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2,6-ditert-butyl-3-[2-(2,4-ditert-butyl-3-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
CID 22365721
N-tert-butyl-1-(2-fluorophenyl)methanimine oxide
CID 20640185
2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
CID 141434807
N-tert-butyl-1-(2-carboxyphenyl)methanimine oxide
CID 74032497
2,4-ditert-butyl-3-hydroxybenzenecarbothioamide
CID 87957925
CID 57369857
CID 57369857
N-tert-butyl-1-(2-nitrophenyl)methanimine oxide
CID 15748949
disodium;4-[[tert-butyl(oxido)azaniumylidene]methyl]-3-sulfobenzenesulfonate
CID 75572720
2,6-ditert-butyl-3-[(2-ethyl-1,1-dioxo-1,2-thiazolidin-3-ylidene)methyl]phenol
CID 91474063
2,3-ditert-butyl-6-(chloromethyl)phenol
CID 141290648
CID 100959876
CID 100959876
2,3-ditert-butyl-6-sulfanylphenol
CID 19391852

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide?
The IUPAC name of N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide (CID 6294788) is N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide?
The canonical SMILES for N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide is CC(C)(C)c1ccc(/C=[N+](\[O-])C(C)(C)C)c(C(C)(C)C)c1O.
What is the InChIKey of N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide?
The InChIKey is UENLIZGOGLIYMY-NDENLUEZSA-N. The full InChI is InChI=1S/C19H31NO2/c1-17(2,3)14-11-10-13(12-20(22)19(7,8)9)15(16(14)21)18(4,5)6/h10-12,21H,1-9H3/b20-12-.
What are the key properties of N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide?
N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide has a molecular weight of 305.46 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,4-ditert-butyl-3-hydroxyphenyl)methanimine oxide is sourced from PubChem (CID 6294788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).