methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate

C11H22N2O2 — CID 103235264

IUPACmethyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate
SMILESCCC(=CCNCCN(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-5-10(11(14)15-4)6-7-12-8-9-13(2)3/h6,12H,5,7-9H2,1-4H3
InChIKeyUDTUOPHNKCPXPC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds7

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

methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate (PubChem CID 103235264) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate
PubChem CID103235264
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate
SMILESCCC(=CCNCCN(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-5-10(11(14)15-4)6-7-12-8-9-13(2)3/h6,12H,5,7-9H2,1-4H3
InChIKeyUDTUOPHNKCPXPC-UHFFFAOYSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate (CID 103235264) is methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate is CCC(=CCNCCN(C)C)C(=O)OC.
What is the InChIKey of methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate?
The InChIKey is UDTUOPHNKCPXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-10(11(14)15-4)6-7-12-8-9-13(2)3/h6,12H,5,7-9H2,1-4H3.
What are the key properties of methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate?
methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate has a molecular weight of 214.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate is sourced from PubChem (CID 103235264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).