ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate

C11H22N2O2 — CID 80547485

IUPACethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate
SMILESCCOC(=O)/C=C/CNCCN(C)CC
InChIInChI=1S/C11H22N2O2/c1-4-13(3)10-9-12-8-6-7-11(14)15-5-2/h6-7,12H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyYHJPINPTYHEEMA-VOTSOKGWSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds8

About ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate

ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate (PubChem CID 80547485) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate
PubChem CID80547485
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate
SMILESCCOC(=O)/C=C/CNCCN(C)CC
InChIInChI=1S/C11H22N2O2/c1-4-13(3)10-9-12-8-6-7-11(14)15-5-2/h6-7,12H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyYHJPINPTYHEEMA-VOTSOKGWSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

N'-(2-aminoethyl)ethane-1,2-diamine;methyl prop-2-enoate
CID 159588312
ethyl (E)-4-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]ethylamino]-4-oxobut-2-enoate
CID 139053258
Ethyl 4-isopropylaminocrotonate
CID 19778141
Acetic acid (Z)-4-ethylamino-but-2-enyl ester
CID 86682678
ethyl (E)-4-(2,2-difluoroethylamino)but-2-enoate
CID 115406593
ethyl (E)-4-(2,2,2-trifluoroethylamino)but-2-enoate
CID 80546468
ethyl (E)-4-[[(E)-4-ethoxy-4-oxobut-2-enyl]amino]but-2-enoate
CID 10083046
ethyl (E)-4-(hexylamino)but-2-enoate
CID 80547844
ethyl (2E)-4-(diethylamino)but-2-enoate
CID 11788688
Ethyl 4-n-propylaminocrotonate
CID 19778147
2-[2-(Diethylamino)ethylamino]ethyl prop-2-enoate
CID 20693467
ethyl (E)-4-[[(2E)-penta-2,4-dienyl]amino]but-2-enoate
CID 22075360

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate?
The IUPAC name of ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate (CID 80547485) is ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate.
What is the SMILES notation for ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate?
The canonical SMILES for ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate is CCOC(=O)/C=C/CNCCN(C)CC.
What is the InChIKey of ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate?
The InChIKey is YHJPINPTYHEEMA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(3)10-9-12-8-6-7-11(14)15-5-2/h6-7,12H,4-5,8-10H2,1-3H3/b7-6+.
What are the key properties of ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate?
ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate has a molecular weight of 214.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate is sourced from PubChem (CID 80547485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).