2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate

C11H22N2O2 — CID 20693467

IUPAC2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCN(CC)CC
InChIInChI=1S/C11H22N2O2/c1-4-11(14)15-10-8-12-7-9-13(5-2)6-3/h4,12H,1,5-10H2,2-3H3
InChIKeyDZFBCLSONLCXDT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate

2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate (PubChem CID 20693467) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate
PubChem CID20693467
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCN(CC)CC
InChIInChI=1S/C11H22N2O2/c1-4-11(14)15-10-8-12-7-9-13(5-2)6-3/h4,12H,1,5-10H2,2-3H3
InChIKeyDZFBCLSONLCXDT-UHFFFAOYSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate (CID 20693467) is 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate is C=CC(=O)OCCNCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate?
The InChIKey is DZFBCLSONLCXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(14)15-10-8-12-7-9-13(5-2)6-3/h4,12H,1,5-10H2,2-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate?
2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate has a molecular weight of 214.31 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]ethyl prop-2-enoate is sourced from PubChem (CID 20693467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).