N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride

C15H40F3N3 — CID 173385130

IUPACN,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride
SMILESCCN(C)C.CC[N+](CC)(CC)CC[N+](C)(C)C.F.[F-].[F-]
InChIInChI=1S/C11H28N2.C4H11N.3FH/c1-7-13(8-2,9-3)11-10-12(4,5)6;1-4-5(2)3;;;/h7-11H2,1-6H3;4H2,1-3H3;3*1H/q+2;;;;/p-2
InChIKeyDMGTXHDJDABQGD-UHFFFAOYSA-L
MW319.50 g/mol
LogP-3.70
Rot. Bonds7

About N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride

N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride (PubChem CID 173385130) has the molecular formula C15H40F3N3 and a molecular weight of 319.50 g/mol. Its IUPAC name is N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride.

Molecular Properties

Compound NameN,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride
PubChem CID173385130
Molecular FormulaC15H40F3N3
Molecular Weight319.50 g/mol
Exact Mass319.32
IUPAC NameN,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride
SMILESCCN(C)C.CC[N+](CC)(CC)CC[N+](C)(C)C.F.[F-].[F-]
InChIInChI=1S/C11H28N2.C4H11N.3FH/c1-7-13(8-2,9-3)11-10-12(4,5)6;1-4-5(2)3;;;/h7-11H2,1-6H3;4H2,1-3H3;3*1H/q+2;;;;/p-2
InChIKeyDMGTXHDJDABQGD-UHFFFAOYSA-L
XLogP-3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide
CID 169428569
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490
N,N-dimethylethanamine;methane
CID 159924855
azane;N,N-dimethylethanamine
CID 91593223
bis(N,N-dimethylethanamine);methane
CID 160872665
N,N-dimethylethanamine;hydroiodide
CID 173048873
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)
CID 87355408
2-(diethylamino)ethyl-triethylazanium;dihydrochloride
CID 158165483
N,N-dimethylethanamine;N,N-dimethylmethanamine;ethane
CID 142201174
tetraethylazanium;fluoride;dihydrate
CID 2776564
2-(diethylamino)ethyl-[[2-[diethyl(methyl)azaniumyl]ethyl-ethyl-[2-(triethylazaniumyl)ethyl]azaniumyl]methyl]-ethyl-methylazanium
CID 59582702

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride?
The IUPAC name of N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride (CID 173385130) is N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride.
What is the SMILES notation for N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride?
The canonical SMILES for N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride is CCN(C)C.CC[N+](CC)(CC)CC[N+](C)(C)C.F.[F-].[F-].
What is the InChIKey of N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride?
The InChIKey is DMGTXHDJDABQGD-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H28N2.C4H11N.3FH/c1-7-13(8-2,9-3)11-10-12(4,5)6;1-4-5(2)3;;;/h7-11H2,1-6H3;4H2,1-3H3;3*1H/q+2;;;;/p-2.
What are the key properties of N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride?
N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride has a molecular weight of 319.50 g/mol, XLogP of -3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride is sourced from PubChem (CID 173385130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).