N-methyl-N-propan-2-ylbenzeneamine oxide

C10H15NO — CID 15036075

IUPACN-methyl-N-propan-2-ylbenzeneamine oxide
SMILESCC(C)[N+](C)([O-])c1ccccc1
InChIInChI=1S/C10H15NO/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyQVJLLAHZIHHRJH-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.53
Rot. Bonds2

About N-methyl-N-propan-2-ylbenzeneamine oxide

N-methyl-N-propan-2-ylbenzeneamine oxide (PubChem CID 15036075) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylbenzeneamine oxide.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylbenzeneamine oxide
PubChem CID15036075
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-N-propan-2-ylbenzeneamine oxide
SMILESCC(C)[N+](C)([O-])c1ccccc1
InChIInChI=1S/C10H15NO/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyQVJLLAHZIHHRJH-UHFFFAOYSA-N
XLogP2.53
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.53
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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Related Compounds

diphenyl-di(propan-2-yl)azanium
CID 70556389
N-methyl-N-(2-methylpropyl)benzeneamine oxide
CID 15036077
CID 134991224
CID 134991224
dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
CID 159297233
(S)-methyl-phenyl-propan-2-yl-propylazanium
CID 163299662
trimethyl(phenyl)azanium fluoride
CID 15787908
dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
methoxy-dimethyl-phenylazanium
CID 21248594
(R)-benzyl-methyl-phenyl-propan-2-ylazanium bromide
CID 163299651
(S)-methyl-phenyl-propan-2-yl-propylazanium iodide
CID 163299661
dimethyl-phenyl-(1-phenylethyl)azanium hydroxide
CID 87491216
ethanolate;trimethyl(phenyl)azanium
CID 12512092

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylbenzeneamine oxide?
The IUPAC name of N-methyl-N-propan-2-ylbenzeneamine oxide (CID 15036075) is N-methyl-N-propan-2-ylbenzeneamine oxide.
What is the SMILES notation for N-methyl-N-propan-2-ylbenzeneamine oxide?
The canonical SMILES for N-methyl-N-propan-2-ylbenzeneamine oxide is CC(C)[N+](C)([O-])c1ccccc1.
What is the InChIKey of N-methyl-N-propan-2-ylbenzeneamine oxide?
The InChIKey is QVJLLAHZIHHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of N-methyl-N-propan-2-ylbenzeneamine oxide?
N-methyl-N-propan-2-ylbenzeneamine oxide has a molecular weight of 165.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylbenzeneamine oxide is sourced from PubChem (CID 15036075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).