4-ethoxy-3-(methylamino)pentan-2-one

C8H17NO2 — CID 18711587

IUPAC4-ethoxy-3-(methylamino)pentan-2-one
SMILESCCOC(C)C(NC)C(C)=O
InChIInChI=1S/C8H17NO2/c1-5-11-7(3)8(9-4)6(2)10/h7-9H,5H2,1-4H3
InChIKeySZPMKZSQTXUUFS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.59
Rot. Bonds5

About 4-ethoxy-3-(methylamino)pentan-2-one

4-ethoxy-3-(methylamino)pentan-2-one (PubChem CID 18711587) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-ethoxy-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name4-ethoxy-3-(methylamino)pentan-2-one
PubChem CID18711587
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-ethoxy-3-(methylamino)pentan-2-one
SMILESCCOC(C)C(NC)C(C)=O
InChIInChI=1S/C8H17NO2/c1-5-11-7(3)8(9-4)6(2)10/h7-9H,5H2,1-4H3
InChIKeySZPMKZSQTXUUFS-UHFFFAOYSA-N
XLogP0.59
TPSA38.33 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(methylamino)pentan-2-one?
The IUPAC name of 4-ethoxy-3-(methylamino)pentan-2-one (CID 18711587) is 4-ethoxy-3-(methylamino)pentan-2-one.
What is the SMILES notation for 4-ethoxy-3-(methylamino)pentan-2-one?
The canonical SMILES for 4-ethoxy-3-(methylamino)pentan-2-one is CCOC(C)C(NC)C(C)=O.
What is the InChIKey of 4-ethoxy-3-(methylamino)pentan-2-one?
The InChIKey is SZPMKZSQTXUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-11-7(3)8(9-4)6(2)10/h7-9H,5H2,1-4H3.
What are the key properties of 4-ethoxy-3-(methylamino)pentan-2-one?
4-ethoxy-3-(methylamino)pentan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(methylamino)pentan-2-one is sourced from PubChem (CID 18711587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).