3-ethyl-1-methoxy-2-(methylamino)heptan-4-one

C11H23NO2 — CID 91180750

IUPAC3-ethyl-1-methoxy-2-(methylamino)heptan-4-one
SMILESCCCC(=O)C(CC)C(COC)NC
InChIInChI=1S/C11H23NO2/c1-5-7-11(13)9(6-2)10(12-3)8-14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyLUXOOJMVWDRKIQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.62
Rot. Bonds8

About 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one

3-ethyl-1-methoxy-2-(methylamino)heptan-4-one (PubChem CID 91180750) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one.

Molecular Properties

Compound Name3-ethyl-1-methoxy-2-(methylamino)heptan-4-one
PubChem CID91180750
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-ethyl-1-methoxy-2-(methylamino)heptan-4-one
SMILESCCCC(=O)C(CC)C(COC)NC
InChIInChI=1S/C11H23NO2/c1-5-7-11(13)9(6-2)10(12-3)8-14-4/h9-10,12H,5-8H2,1-4H3
InChIKeyLUXOOJMVWDRKIQ-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one?
The IUPAC name of 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one (CID 91180750) is 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one.
What is the SMILES notation for 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one?
The canonical SMILES for 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one is CCCC(=O)C(CC)C(COC)NC.
What is the InChIKey of 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one?
The InChIKey is LUXOOJMVWDRKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-11(13)9(6-2)10(12-3)8-14-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one?
3-ethyl-1-methoxy-2-(methylamino)heptan-4-one has a molecular weight of 201.31 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-2-(methylamino)heptan-4-one is sourced from PubChem (CID 91180750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).