2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate

C13H28N2O2 — CID 21449892

IUPAC2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate
SMILESCCN(CC)CCOC(=O)CC(C)N(C)CC
InChIInChI=1S/C13H28N2O2/c1-6-14(5)12(4)11-13(16)17-10-9-15(7-2)8-3/h12H,6-11H2,1-5H3
InChIKeyAITWWPWXROCMPT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.60
Rot. Bonds9

About 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate

2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate (PubChem CID 21449892) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate
PubChem CID21449892
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate
SMILESCCN(CC)CCOC(=O)CC(C)N(C)CC
InChIInChI=1S/C13H28N2O2/c1-6-14(5)12(4)11-13(16)17-10-9-15(7-2)8-3/h12H,6-11H2,1-5H3
InChIKeyAITWWPWXROCMPT-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate?
The IUPAC name of 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate (CID 21449892) is 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate is CCN(CC)CCOC(=O)CC(C)N(C)CC.
What is the InChIKey of 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate?
The InChIKey is AITWWPWXROCMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-14(5)12(4)11-13(16)17-10-9-15(7-2)8-3/h12H,6-11H2,1-5H3.
What are the key properties of 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate?
2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-[ethyl(methyl)amino]butanoate is sourced from PubChem (CID 21449892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).