N,N-diethylethanamine;ethyl 2-methylprop-2-enoate

C12H25NO2 — CID 18466424

IUPACN,N-diethylethanamine;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCN(CC)CC
InChIInChI=1S/C6H15N.C6H10O2/c1-4-7(5-2)6-3;1-4-8-6(7)5(2)3/h4-6H2,1-3H3;2,4H2,1,3H3
InChIKeyPKYIGBNIPNNWKL-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.47
Rot. Bonds5

About N,N-diethylethanamine;ethyl 2-methylprop-2-enoate

N,N-diethylethanamine;ethyl 2-methylprop-2-enoate (PubChem CID 18466424) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N,N-diethylethanamine;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound NameN,N-diethylethanamine;ethyl 2-methylprop-2-enoate
PubChem CID18466424
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN,N-diethylethanamine;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCN(CC)CC
InChIInChI=1S/C6H15N.C6H10O2/c1-4-7(5-2)6-3;1-4-8-6(7)5(2)3/h4-6H2,1-3H3;2,4H2,1,3H3
InChIKeyPKYIGBNIPNNWKL-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;ethyl 2-methylprop-2-enoate?
The IUPAC name of N,N-diethylethanamine;ethyl 2-methylprop-2-enoate (CID 18466424) is N,N-diethylethanamine;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for N,N-diethylethanamine;ethyl 2-methylprop-2-enoate?
The canonical SMILES for N,N-diethylethanamine;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;ethyl 2-methylprop-2-enoate?
The InChIKey is PKYIGBNIPNNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H10O2/c1-4-7(5-2)6-3;1-4-8-6(7)5(2)3/h4-6H2,1-3H3;2,4H2,1,3H3.
What are the key properties of N,N-diethylethanamine;ethyl 2-methylprop-2-enoate?
N,N-diethylethanamine;ethyl 2-methylprop-2-enoate has a molecular weight of 215.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18466424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).