2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate

C14H29NO6S — CID 162214981

IUPAC2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
SMILESC=C(C)C(=O)OCCN(CC)CC.CCOS(=O)(=O)OCC
InChIInChI=1S/C10H19NO2.C4H10O4S/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3-7-9(5,6)8-4-2/h3,5-8H2,1-2,4H3;3-4H2,1-2H3
InChIKeyZTIMEKYDOPYAGI-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.75
Rot. Bonds10

About 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate

2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate (PubChem CID 162214981) has the molecular formula C14H29NO6S and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
PubChem CID162214981
Molecular FormulaC14H29NO6S
Molecular Weight339.45 g/mol
Exact Mass339.17
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
SMILESC=C(C)C(=O)OCCN(CC)CC.CCOS(=O)(=O)OCC
InChIInChI=1S/C10H19NO2.C4H10O4S/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3-7-9(5,6)8-4-2/h3,5-8H2,1-2,4H3;3-4H2,1-2H3
InChIKeyZTIMEKYDOPYAGI-UHFFFAOYSA-N
XLogP1.75
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
butyl 2-methylprop-2-enoate;2-(diethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate
CID 173140815
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate (CID 162214981) is 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate is C=C(C)C(=O)OCCN(CC)CC.CCOS(=O)(=O)OCC.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate?
The InChIKey is ZTIMEKYDOPYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C4H10O4S/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-3-7-9(5,6)8-4-2/h3,5-8H2,1-2,4H3;3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate?
2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate has a molecular weight of 339.45 g/mol, XLogP of 1.75, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate is sourced from PubChem (CID 162214981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).