ethyl 2-(dibutylamino)butanoate

C14H29NO2 — CID 64662668

IUPACethyl 2-(dibutylamino)butanoate
SMILESCCCCN(CCCC)C(CC)C(=O)OCC
InChIInChI=1S/C14H29NO2/c1-5-9-11-15(12-10-6-2)13(7-3)14(16)17-8-4/h13H,5-12H2,1-4H3
InChIKeyJYLXJDMQTQEVPC-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.23
Rot. Bonds10

About ethyl 2-(dibutylamino)butanoate

ethyl 2-(dibutylamino)butanoate (PubChem CID 64662668) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethyl 2-(dibutylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(dibutylamino)butanoate
PubChem CID64662668
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethyl 2-(dibutylamino)butanoate
SMILESCCCCN(CCCC)C(CC)C(=O)OCC
InChIInChI=1S/C14H29NO2/c1-5-9-11-15(12-10-6-2)13(7-3)14(16)17-8-4/h13H,5-12H2,1-4H3
InChIKeyJYLXJDMQTQEVPC-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibutylamino)butanoate?
The IUPAC name of ethyl 2-(dibutylamino)butanoate (CID 64662668) is ethyl 2-(dibutylamino)butanoate.
What is the SMILES notation for ethyl 2-(dibutylamino)butanoate?
The canonical SMILES for ethyl 2-(dibutylamino)butanoate is CCCCN(CCCC)C(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(dibutylamino)butanoate?
The InChIKey is JYLXJDMQTQEVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-9-11-15(12-10-6-2)13(7-3)14(16)17-8-4/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(dibutylamino)butanoate?
ethyl 2-(dibutylamino)butanoate has a molecular weight of 243.39 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibutylamino)butanoate is sourced from PubChem (CID 64662668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).