3-(ethylaminooxy)-3-methylbutan-2-one

C7H15NO2 — CID 90967748

IUPAC3-(ethylaminooxy)-3-methylbutan-2-one
SMILESCCNOC(C)(C)C(C)=O
InChIInChI=1S/C7H15NO2/c1-5-8-10-7(3,4)6(2)9/h8H,5H2,1-4H3
InChIKeyZUJFEGMITGLWIT-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.90
Rot. Bonds4

About 3-(ethylaminooxy)-3-methylbutan-2-one

3-(ethylaminooxy)-3-methylbutan-2-one (PubChem CID 90967748) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(ethylaminooxy)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(ethylaminooxy)-3-methylbutan-2-one
PubChem CID90967748
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(ethylaminooxy)-3-methylbutan-2-one
SMILESCCNOC(C)(C)C(C)=O
InChIInChI=1S/C7H15NO2/c1-5-8-10-7(3,4)6(2)9/h8H,5H2,1-4H3
InChIKeyZUJFEGMITGLWIT-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.90
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

3-methyl-3-[(2-methyl-3-oxobutan-2-yl)oxyamino]oxybutan-2-one
CID 170257893
CID 158035989
CID 158035989
ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
CID 82723991
methyl 2-[ethyl(methyl)amino]-2-methyl-3-oxobutanoate
CID 174735355
methyl (2S)-2-ethyl-2-methyl-3-oxobutanoate
CID 131227877
3-tert-butylperoxy-3-methylpentan-2-one
CID 87328070
[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-λ2-stannane
CID 174942206
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
3-methyl-4-[(2-methylpropan-2-yl)oxyamino]but-2-enoic acid
CID 103261394
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
bis(ethylamino) (E)-but-2-enedioate
CID 174375026
N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride
CID 173239320

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminooxy)-3-methylbutan-2-one?
The IUPAC name of 3-(ethylaminooxy)-3-methylbutan-2-one (CID 90967748) is 3-(ethylaminooxy)-3-methylbutan-2-one.
What is the SMILES notation for 3-(ethylaminooxy)-3-methylbutan-2-one?
The canonical SMILES for 3-(ethylaminooxy)-3-methylbutan-2-one is CCNOC(C)(C)C(C)=O.
What is the InChIKey of 3-(ethylaminooxy)-3-methylbutan-2-one?
The InChIKey is ZUJFEGMITGLWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-8-10-7(3,4)6(2)9/h8H,5H2,1-4H3.
What are the key properties of 3-(ethylaminooxy)-3-methylbutan-2-one?
3-(ethylaminooxy)-3-methylbutan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminooxy)-3-methylbutan-2-one is sourced from PubChem (CID 90967748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).