N,N-dimethylbenzeneamine oxide

C8H11NO — CID 950

IUPACN,N-dimethylbenzeneamine oxide
SMILESC[N+](C)([O-])c1ccccc1
InChIInChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyLKQUDAOAMBKKQW-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.75
Rot. Bonds1

About N,N-dimethylbenzeneamine oxide

N,N-dimethylbenzeneamine oxide (PubChem CID 950) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N,N-dimethylbenzeneamine oxide.

Molecular Properties

Compound NameN,N-dimethylbenzeneamine oxide
PubChem CID950
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN,N-dimethylbenzeneamine oxide
SMILESC[N+](C)([O-])c1ccccc1
InChIInChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyLKQUDAOAMBKKQW-UHFFFAOYSA-N
XLogP1.75
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbenzeneamine oxide?
The IUPAC name of N,N-dimethylbenzeneamine oxide (CID 950) is N,N-dimethylbenzeneamine oxide.
What is the SMILES notation for N,N-dimethylbenzeneamine oxide?
The canonical SMILES for N,N-dimethylbenzeneamine oxide is C[N+](C)([O-])c1ccccc1.
What is the InChIKey of N,N-dimethylbenzeneamine oxide?
The InChIKey is LKQUDAOAMBKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethylbenzeneamine oxide?
N,N-dimethylbenzeneamine oxide has a molecular weight of 137.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbenzeneamine oxide is sourced from PubChem (CID 950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).