methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate

C11H22N2O2 — CID 103249206

IUPACmethyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
SMILESCCN(C)CCNC/C=C(/C)C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-5-13(3)9-8-12-7-6-10(2)11(14)15-4/h6,12H,5,7-9H2,1-4H3/b10-6-
InChIKeyPYLPQHPZWHTYBE-POHAHGRESA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds7

About methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate

methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate (PubChem CID 103249206) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
PubChem CID103249206
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
SMILESCCN(C)CCNC/C=C(/C)C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-5-13(3)9-8-12-7-6-10(2)11(14)15-4/h6,12H,5,7-9H2,1-4H3/b10-6-
InChIKeyPYLPQHPZWHTYBE-POHAHGRESA-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'}

Analyze methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate
CID 103266852
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480
methyl 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylbut-2-enoate
CID 103240517
methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
CID 103266527
methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
CID 106340200
methyl 2-methyl-4-(2-prop-2-ynylsulfanylethylamino)but-2-enoate
CID 106429936
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl 4-(tert-butylamino)-2-methylbut-2-enoate
CID 103728179
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
methyl (E)-4-[2-(5-chlorothiophen-2-yl)ethylamino]-2-methylbut-2-enoate
CID 106036866
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
methyl 4-[butan-2-yl(methyl)amino]-2-methylbut-2-enoate
CID 77076417

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate?
The IUPAC name of methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate (CID 103249206) is methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate is CCN(C)CCNC/C=C(/C)C(=O)OC.
What is the InChIKey of methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate?
The InChIKey is PYLPQHPZWHTYBE-POHAHGRESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-13(3)9-8-12-7-6-10(2)11(14)15-4/h6,12H,5,7-9H2,1-4H3/b10-6-.
What are the key properties of methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate?
methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-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 (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate is sourced from PubChem (CID 103249206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).