1-(diethylamino)ethyl acetate;hydrochloride

C8H18ClNO2 — CID 175006388

IUPAC1-(diethylamino)ethyl acetate;hydrochloride
SMILESCCN(CC)C(C)OC(C)=O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-9(6-2)7(3)11-8(4)10;/h7H,5-6H2,1-4H3;1H
InChIKeyDFQXBAGGZINBTN-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.66
Rot. Bonds4

About 1-(diethylamino)ethyl acetate;hydrochloride

1-(diethylamino)ethyl acetate;hydrochloride (PubChem CID 175006388) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(diethylamino)ethyl acetate;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)ethyl acetate;hydrochloride
PubChem CID175006388
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name1-(diethylamino)ethyl acetate;hydrochloride
SMILESCCN(CC)C(C)OC(C)=O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-9(6-2)7(3)11-8(4)10;/h7H,5-6H2,1-4H3;1H
InChIKeyDFQXBAGGZINBTN-UHFFFAOYSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
[(E,2S,5R)-5-(diethylamino)hex-3-en-2-yl] acetate
CID 131888386
1-(diethylamino)ethyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)but-2-enoate
CID 142722162
propane;propan-2-yl acetate
CID 23325886
1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate
CID 139612107
propan-2-yl acetate;hydrochloride
CID 87336432
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate
CID 88663441
butan-2-yl acetate;2-methylpropan-1-ol
CID 158287045
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
(313C)heptan-4-yl acetate
CID 117065532

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl acetate;hydrochloride?
The IUPAC name of 1-(diethylamino)ethyl acetate;hydrochloride (CID 175006388) is 1-(diethylamino)ethyl acetate;hydrochloride.
What is the SMILES notation for 1-(diethylamino)ethyl acetate;hydrochloride?
The canonical SMILES for 1-(diethylamino)ethyl acetate;hydrochloride is CCN(CC)C(C)OC(C)=O.Cl.
What is the InChIKey of 1-(diethylamino)ethyl acetate;hydrochloride?
The InChIKey is DFQXBAGGZINBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-5-9(6-2)7(3)11-8(4)10;/h7H,5-6H2,1-4H3;1H.
What are the key properties of 1-(diethylamino)ethyl acetate;hydrochloride?
1-(diethylamino)ethyl acetate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl acetate;hydrochloride is sourced from PubChem (CID 175006388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).