N-tert-butylbenzeneamine oxide

C10H15NO — CID 100926006

IUPACN-tert-butylbenzeneamine oxide
SMILESCC(C)(C)[NH+]([O-])c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(2,3)11(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyRYMIYYOEEOYOSP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.50
Rot. Bonds1

About N-tert-butylbenzeneamine oxide

N-tert-butylbenzeneamine oxide (PubChem CID 100926006) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-tert-butylbenzeneamine oxide.

Molecular Properties

Compound NameN-tert-butylbenzeneamine oxide
PubChem CID100926006
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-tert-butylbenzeneamine oxide
SMILESCC(C)(C)[NH+]([O-])c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(2,3)11(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyRYMIYYOEEOYOSP-UHFFFAOYSA-N
XLogP1.50
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylbenzeneamine oxide
CID 87928145
(dimethyl(phenyl)azanium);dodecaborate
CID 139692201
benzyl(ditert-butyl)azanium
CID 58320117
2,2-dimethylpropane;triphenylphosphane
CID 143924519
tert-butyl(diphenyl)stannanylium
CID 18463173
methylsilyl(diphenyl)azanium
CID 173021835
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
(diphenylazaniumyl)azanide
CID 163421119
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234
benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene
CID 163997399
tris(ethyl(diphenyl)azanium);borate
CID 141121893

Frequently Asked Questions

What is the IUPAC name of N-tert-butylbenzeneamine oxide?
The IUPAC name of N-tert-butylbenzeneamine oxide (CID 100926006) is N-tert-butylbenzeneamine oxide.
What is the SMILES notation for N-tert-butylbenzeneamine oxide?
The canonical SMILES for N-tert-butylbenzeneamine oxide is CC(C)(C)[NH+]([O-])c1ccccc1.
What is the InChIKey of N-tert-butylbenzeneamine oxide?
The InChIKey is RYMIYYOEEOYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)11(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of N-tert-butylbenzeneamine oxide?
N-tert-butylbenzeneamine oxide has a molecular weight of 165.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbenzeneamine oxide is sourced from PubChem (CID 100926006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).