4-amino-1-ethoxy-3,3-dimethylbutan-2-one

C8H17NO2 — CID 116599948

IUPAC4-amino-1-ethoxy-3,3-dimethylbutan-2-one
SMILESCCOCC(=O)C(C)(C)CN
InChIInChI=1S/C8H17NO2/c1-4-11-5-7(10)8(2,3)6-9/h4-6,9H2,1-3H3
InChIKeyZOPUQSBCTZJZHG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.58
Rot. Bonds5

About 4-amino-1-ethoxy-3,3-dimethylbutan-2-one

4-amino-1-ethoxy-3,3-dimethylbutan-2-one (PubChem CID 116599948) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-amino-1-ethoxy-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-ethoxy-3,3-dimethylbutan-2-one
PubChem CID116599948
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-amino-1-ethoxy-3,3-dimethylbutan-2-one
SMILESCCOCC(=O)C(C)(C)CN
InChIInChI=1S/C8H17NO2/c1-4-11-5-7(10)8(2,3)6-9/h4-6,9H2,1-3H3
InChIKeyZOPUQSBCTZJZHG-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-diethoxy-3,3-bis(2-ethoxyacetyl)pentane-2,4-dione
CID 20715511
1,3-diethoxy-3-methylbutan-2-one
CID 116710340
1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
CID 158371084
2-ethoxyacetic acid
CID 159744705
1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one
CID 89017435
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
CID 158293749
1-amino-2,2,6-trimethylhept-6-en-3-one
CID 114478039
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
carbonic acid;2-ethoxyacetic acid
CID 174869478
1-aminooxy-3-ethoxypropan-2-one
CID 163799340
3-ethoxy-2,2-dimethylpropanoyl chloride
CID 14459646

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethoxy-3,3-dimethylbutan-2-one?
The IUPAC name of 4-amino-1-ethoxy-3,3-dimethylbutan-2-one (CID 116599948) is 4-amino-1-ethoxy-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-amino-1-ethoxy-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-amino-1-ethoxy-3,3-dimethylbutan-2-one is CCOCC(=O)C(C)(C)CN.
What is the InChIKey of 4-amino-1-ethoxy-3,3-dimethylbutan-2-one?
The InChIKey is ZOPUQSBCTZJZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-11-5-7(10)8(2,3)6-9/h4-6,9H2,1-3H3.
What are the key properties of 4-amino-1-ethoxy-3,3-dimethylbutan-2-one?
4-amino-1-ethoxy-3,3-dimethylbutan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethoxy-3,3-dimethylbutan-2-one is sourced from PubChem (CID 116599948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).