N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine

C18H30NO2- — CID 163168730

IUPACN-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine
SMILESCC(C)(C)c1cc(C(C)(C)C)c(N([O-])O)c(C(C)(C)C)c1
InChIInChI=1S/C18H30NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11,20H,1-9H3/q-1
InChIKeyLUASEOVWFCNHJB-UHFFFAOYSA-N
MW292.44 g/mol
LogP5.27
Rot. Bonds1

About N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine

N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine (PubChem CID 163168730) has the molecular formula C18H30NO2- and a molecular weight of 292.44 g/mol. Its IUPAC name is N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine
PubChem CID163168730
Molecular FormulaC18H30NO2-
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine
SMILESCC(C)(C)c1cc(C(C)(C)C)c(N([O-])O)c(C(C)(C)C)c1
InChIInChI=1S/C18H30NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11,20H,1-9H3/q-1
InChIKeyLUASEOVWFCNHJB-UHFFFAOYSA-N
XLogP5.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1,2,3,5-tetratert-butylbenzene
CID 18679123
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
CID 134886122
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
2,4-ditert-butyl-6-(diethylamino)phenol
CID 90717515
tris(3,4-ditert-butylphenyl)methanol
CID 155667847
CID 135046337
CID 135046337
N,N-bis(3,5-ditert-butylphenyl)hydroxylamine
CID 58984158
2,4-ditert-butyl-6-hydroxybenzaldehyde
CID 12815585
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
CID 102041593
2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
CID 70700395

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine?
The IUPAC name of N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine (CID 163168730) is N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine.
What is the SMILES notation for N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine?
The canonical SMILES for N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine is CC(C)(C)c1cc(C(C)(C)C)c(N([O-])O)c(C(C)(C)C)c1.
What is the InChIKey of N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine?
The InChIKey is LUASEOVWFCNHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11,20H,1-9H3/q-1.
What are the key properties of N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine?
N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine has a molecular weight of 292.44 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-(2,4,6-tritert-butylphenyl)hydroxylamine is sourced from PubChem (CID 163168730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).