trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium

C14H30N2O4+2 — CID 5314

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IUPACtrimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
InChIKeyAXOIZCJOOAYSMI-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.27
Rot. Bonds9

About trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium

trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium (PubChem CID 5314) has the molecular formula C14H30N2O4+2 and a molecular weight of 290.40 g/mol. Its IUPAC name is trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
PubChem CID5314
Molecular FormulaC14H30N2O4+2
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametrimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
InChIKeyAXOIZCJOOAYSMI-UHFFFAOYSA-N
XLogP0.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Succinylcholine Chloride
CID 22475
Butyrylcholine iodide
CID 17232
Butyrylcholine chloride
CID 76297
Ditilin
CID 54611634
Succinylcholine Iodide
CID 68325
Suxamethonium dichloride
CID 230349
Butanoic acid, 2-(dimethylamino)ethyl ester
CID 85508
Succinylcholine Bromide
CID 66129
Butyrylcholine
CID 17233
Succinylmonocholine chloride
CID 199935
Succinylcholine chloride dihydrate
CID 656867
Suxethonium bromide
CID 46036

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium?
The IUPAC name of trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium (CID 5314) is trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium is C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium?
The InChIKey is AXOIZCJOOAYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium?
trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium has a molecular weight of 290.40 g/mol, XLogP of 0.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium is sourced from PubChem (CID 5314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).