trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride

C14H30Cl2N4O3 — CID 10690726

IUPACtrimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride
SMILESC[N+](C)(C)CC(=O)NCC(=O)NCC[N+]1(C)CCOCC1.[Cl-].[Cl-]
InChIInChI=1S/C14H28N4O3.2ClH/c1-17(2,3)12-14(20)16-11-13(19)15-5-6-18(4)7-9-21-10-8-18;;/h5-12H2,1-4H3;2*1H
InChIKeyDWQGQSVEASAGPT-UHFFFAOYSA-N
MW373.33 g/mol
LogP-7.59
Rot. Bonds7

About trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride

trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride (PubChem CID 10690726) has the molecular formula C14H30Cl2N4O3 and a molecular weight of 373.33 g/mol. Its IUPAC name is trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride.

Molecular Properties

Compound Nametrimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride
PubChem CID10690726
Molecular FormulaC14H30Cl2N4O3
Molecular Weight373.33 g/mol
Exact Mass372.17
IUPAC Nametrimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride
SMILESC[N+](C)(C)CC(=O)NCC(=O)NCC[N+]1(C)CCOCC1.[Cl-].[Cl-]
InChIInChI=1S/C14H28N4O3.2ClH/c1-17(2,3)12-14(20)16-11-13(19)15-5-6-18(4)7-9-21-10-8-18;;/h5-12H2,1-4H3;2*1H
InChIKeyDWQGQSVEASAGPT-UHFFFAOYSA-N
XLogP-7.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 5-7.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3128224
1-(Morpholinocarbonylmethyl)piperazine
CID 100622
4-((Methylamino)acetyl)morpholine
CID 2517683
N-(2-methylpropyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3127683
N,N'-1,2-ethanediylbis[2-(4-morpholinyl)acetamide]
CID 2922084
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
4-[Oxo(piperazin-1-yl)acetyl]morpholine
CID 7131953
N-(2-methoxyethyl)-N'-[2-(1-piperazinyl)ethyl]ethanediamide hydrate
CID 2959170
N-(2-Methoxy-ethyl)-N'-(2-morpholin-4-yl-ethyl)-oxalamide
CID 3156917
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
N-(2-Methoxyethyl)-1-piperazineacetamide
CID 7131115
2-Ethoxy-1-(piperazin-1-yl)ethan-1-one
CID 13715574

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride?
The IUPAC name of trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride (CID 10690726) is trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride.
What is the SMILES notation for trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride?
The canonical SMILES for trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride is C[N+](C)(C)CC(=O)NCC(=O)NCC[N+]1(C)CCOCC1.[Cl-].[Cl-].
What is the InChIKey of trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride?
The InChIKey is DWQGQSVEASAGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3.2ClH/c1-17(2,3)12-14(20)16-11-13(19)15-5-6-18(4)7-9-21-10-8-18;;/h5-12H2,1-4H3;2*1H.
What are the key properties of trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride?
trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride has a molecular weight of 373.33 g/mol, XLogP of -7.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride is sourced from PubChem (CID 10690726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).