4-[2-methoxyethyl(methyl)amino]butan-2-one

C8H17NO2 — CID 15844026

IUPAC4-[2-methoxyethyl(methyl)amino]butan-2-one
SMILESCOCCN(C)CCC(C)=O
InChIInChI=1S/C8H17NO2/c1-8(10)4-5-9(2)6-7-11-3/h4-7H2,1-3H3
InChIKeyTYMNYNUKAJDATQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.54
Rot. Bonds6

About 4-[2-methoxyethyl(methyl)amino]butan-2-one

4-[2-methoxyethyl(methyl)amino]butan-2-one (PubChem CID 15844026) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]butan-2-one
PubChem CID15844026
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-[2-methoxyethyl(methyl)amino]butan-2-one
SMILESCOCCN(C)CCC(C)=O
InChIInChI=1S/C8H17NO2/c1-8(10)4-5-9(2)6-7-11-3/h4-7H2,1-3H3
InChIKeyTYMNYNUKAJDATQ-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]butan-2-one?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]butan-2-one (CID 15844026) is 4-[2-methoxyethyl(methyl)amino]butan-2-one.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]butan-2-one?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]butan-2-one is COCCN(C)CCC(C)=O.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]butan-2-one?
The InChIKey is TYMNYNUKAJDATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10)4-5-9(2)6-7-11-3/h4-7H2,1-3H3.
What are the key properties of 4-[2-methoxyethyl(methyl)amino]butan-2-one?
4-[2-methoxyethyl(methyl)amino]butan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]butan-2-one is sourced from PubChem (CID 15844026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).