trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium

C14H30N4O2+2 — CID 6434679

IUPACtrimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
SMILESC[N+](C)(C)CCNC(=O)/C=C/C(=O)NCC[N+](C)(C)C
InChIInChI=1S/C14H28N4O2/c1-17(2,3)11-9-15-13(19)7-8-14(20)16-10-12-18(4,5)6/h7-8H,9-12H2,1-6H3/p+2/b8-7+
InChIKeyUVJAEYPUCPIZKV-BQYQJAHWSA-P
MW286.42 g/mol
LogP-0.81
Rot. Bonds8

About trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium

trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium (PubChem CID 6434679) has the molecular formula C14H30N4O2+2 and a molecular weight of 286.42 g/mol. Its IUPAC name is trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
PubChem CID6434679
Molecular FormulaC14H30N4O2+2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Nametrimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
SMILESC[N+](C)(C)CCNC(=O)/C=C/C(=O)NCC[N+](C)(C)C
InChIInChI=1S/C14H28N4O2/c1-17(2,3)11-9-15-13(19)7-8-14(20)16-10-12-18(4,5)6/h7-8H,9-12H2,1-6H3/p+2/b8-7+
InChIKeyUVJAEYPUCPIZKV-BQYQJAHWSA-P
XLogP-0.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium with MolForge

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Related Compounds

trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium diiodide
CID 6434678
2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
CID 28816307
2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium chloride
CID 46911005
trimethyl-[2-(methylcarbamoylamino)ethyl]azanium
CID 13379058
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium
CID 20759368
2-(butanoylamino)ethyl-trimethylazanium iodide
CID 71365310
(E)-N,N'-diethylbut-2-enediamide
CID 22015135

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium?
The IUPAC name of trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium (CID 6434679) is trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium is C[N+](C)(C)CCNC(=O)/C=C/C(=O)NCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium?
The InChIKey is UVJAEYPUCPIZKV-BQYQJAHWSA-P. The full InChI is InChI=1S/C14H28N4O2/c1-17(2,3)11-9-15-13(19)7-8-14(20)16-10-12-18(4,5)6/h7-8H,9-12H2,1-6H3/p+2/b8-7+.
What are the key properties of trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium?
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium has a molecular weight of 286.42 g/mol, XLogP of -0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium is sourced from PubChem (CID 6434679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).