methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate

C13H26N2O2 — CID 103234082

IUPACmethyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate
SMILESCC/C(=C/CNCCN(CC)CC)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-5-12(13(16)17-4)8-9-14-10-11-15(6-2)7-3/h8,14H,5-7,9-11H2,1-4H3/b12-8-
InChIKeyXHYVXXWRTDEDNA-WQLSENKSSA-N
MW242.36 g/mol
LogP1.43
Rot. Bonds9

About methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate

methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate (PubChem CID 103234082) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate
PubChem CID103234082
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate
SMILESCC/C(=C/CNCCN(CC)CC)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-5-12(13(16)17-4)8-9-14-10-11-15(6-2)7-3/h8,14H,5-7,9-11H2,1-4H3/b12-8-
InChIKeyXHYVXXWRTDEDNA-WQLSENKSSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.43
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 methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate (CID 103234082) is methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate is CC/C(=C/CNCCN(CC)CC)C(=O)OC.
What is the InChIKey of methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate?
The InChIKey is XHYVXXWRTDEDNA-WQLSENKSSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-12(13(16)17-4)8-9-14-10-11-15(6-2)7-3/h8,14H,5-7,9-11H2,1-4H3/b12-8-.
What are the key properties of methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate?
methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate is sourced from PubChem (CID 103234082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).