1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one

C11H23NO2 — CID 58562053

IUPAC1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one
SMILESCOCCN(C)CCC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-11(2,3)10(13)6-7-12(4)8-9-14-5/h6-9H2,1-5H3
InChIKeyGHYRBWVEQMUXIW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one

1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one (PubChem CID 58562053) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one
PubChem CID58562053
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one
SMILESCOCCN(C)CCC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-11(2,3)10(13)6-7-12(4)8-9-14-5/h6-9H2,1-5H3
InChIKeyGHYRBWVEQMUXIW-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one (CID 58562053) is 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one is COCCN(C)CCC(=O)C(C)(C)C.
What is the InChIKey of 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one?
The InChIKey is GHYRBWVEQMUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)10(13)6-7-12(4)8-9-14-5/h6-9H2,1-5H3.
What are the key properties of 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one?
1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one has a molecular weight of 201.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(methyl)amino]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 58562053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).