2-(diethylamino)ethyl propanoate;hydrochloride

C9H20ClNO2 — CID 141390423

IUPAC2-(diethylamino)ethyl propanoate;hydrochloride
SMILESCCC(=O)OCCN(CC)CC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-9(11)12-8-7-10(5-2)6-3;/h4-8H2,1-3H3;1H
InChIKeyFQJMTADURWRFOG-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.70
Rot. Bonds6

About 2-(diethylamino)ethyl propanoate;hydrochloride

2-(diethylamino)ethyl propanoate;hydrochloride (PubChem CID 141390423) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(diethylamino)ethyl propanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl propanoate;hydrochloride
PubChem CID141390423
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name2-(diethylamino)ethyl propanoate;hydrochloride
SMILESCCC(=O)OCCN(CC)CC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-9(11)12-8-7-10(5-2)6-3;/h4-8H2,1-3H3;1H
InChIKeyFQJMTADURWRFOG-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methacholine Chloride
CID 6114
Acetylcholine
CID 187
Acetylcholine Chloride
CID 6060
Methacholine
CID 1993
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1)
CID 93565
Butyrylcholine iodide
CID 17232
Butyrylcholine chloride
CID 76297
Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-triacetate
CID 76352
Ethanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-, iodide (1:1)
CID 75611
Glycine, N,N-diethyl-, ethyl ester
CID 75843
Butyrylcholine
CID 17233
2-(Diethylamino)ethyl acetate
CID 82591

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl propanoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl propanoate;hydrochloride (CID 141390423) is 2-(diethylamino)ethyl propanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl propanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl propanoate;hydrochloride is CCC(=O)OCCN(CC)CC.Cl.
What is the InChIKey of 2-(diethylamino)ethyl propanoate;hydrochloride?
The InChIKey is FQJMTADURWRFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-4-9(11)12-8-7-10(5-2)6-3;/h4-8H2,1-3H3;1H.
What are the key properties of 2-(diethylamino)ethyl propanoate;hydrochloride?
2-(diethylamino)ethyl propanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl propanoate;hydrochloride is sourced from PubChem (CID 141390423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).