ethyl 4-ethyl-3-(methylamino)hexanoate

C11H23NO2 — CID 65236621

IUPACethyl 4-ethyl-3-(methylamino)hexanoate
SMILESCCOC(=O)CC(NC)C(CC)CC
InChIInChI=1S/C11H23NO2/c1-5-9(6-2)10(12-4)8-11(13)14-7-3/h9-10,12H,5-8H2,1-4H3
InChIKeyUMKYOHDJZNORDD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds7

About ethyl 4-ethyl-3-(methylamino)hexanoate

ethyl 4-ethyl-3-(methylamino)hexanoate (PubChem CID 65236621) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 4-ethyl-3-(methylamino)hexanoate.

Molecular Properties

Compound Nameethyl 4-ethyl-3-(methylamino)hexanoate
PubChem CID65236621
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 4-ethyl-3-(methylamino)hexanoate
SMILESCCOC(=O)CC(NC)C(CC)CC
InChIInChI=1S/C11H23NO2/c1-5-9(6-2)10(12-4)8-11(13)14-7-3/h9-10,12H,5-8H2,1-4H3
InChIKeyUMKYOHDJZNORDD-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
CID 116503368
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ethyl 4,4-difluoro-3-formamidobutanoate
CID 174664556
diethyl 4-(methylamino)heptanedioate
CID 88543894
diethyl propanedioate;ethane
CID 123991095
diethyl propanedioate;titanium
CID 174779178
CID 172843337
CID 172843337

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-3-(methylamino)hexanoate?
The IUPAC name of ethyl 4-ethyl-3-(methylamino)hexanoate (CID 65236621) is ethyl 4-ethyl-3-(methylamino)hexanoate.
What is the SMILES notation for ethyl 4-ethyl-3-(methylamino)hexanoate?
The canonical SMILES for ethyl 4-ethyl-3-(methylamino)hexanoate is CCOC(=O)CC(NC)C(CC)CC.
What is the InChIKey of ethyl 4-ethyl-3-(methylamino)hexanoate?
The InChIKey is UMKYOHDJZNORDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(6-2)10(12-4)8-11(13)14-7-3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of ethyl 4-ethyl-3-(methylamino)hexanoate?
ethyl 4-ethyl-3-(methylamino)hexanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-3-(methylamino)hexanoate is sourced from PubChem (CID 65236621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).