2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate

C11H25F3N2O2 — CID 159986541

IUPAC2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate
SMILESC.CC[N+](C)(C)CCN(C)C.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H21N2.C2HF3O2.CH4/c1-6-10(4,5)8-7-9(2)3;3-2(4,5)1(6)7;/h6-8H2,1-5H3;(H,6,7);1H4/q+1;;/p-1
InChIKeyGMPXXIQYQXWGHG-UHFFFAOYSA-M
MW274.33 g/mol
LogP0.58
Rot. Bonds4

About 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate

2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate (PubChem CID 159986541) has the molecular formula C11H25F3N2O2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate
PubChem CID159986541
Molecular FormulaC11H25F3N2O2
Molecular Weight274.33 g/mol
Exact Mass274.19
IUPAC Name2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate
SMILESC.CC[N+](C)(C)CCN(C)C.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H21N2.C2HF3O2.CH4/c1-6-10(4,5)8-7-9(2)3;3-2(4,5)1(6)7;/h6-8H2,1-5H3;(H,6,7);1H4/q+1;;/p-1
InChIKeyGMPXXIQYQXWGHG-UHFFFAOYSA-M
XLogP0.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium
CID 123775918
2,2,2-trifluoroacetate acetate
CID 19379527
3-aminopropyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 140851931
2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium
CID 159239563
2,2,2-trifluoroacetate;trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium
CID 87779466
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate?
The IUPAC name of 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate (CID 159986541) is 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate?
The canonical SMILES for 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate is C.CC[N+](C)(C)CCN(C)C.O=C([O-])C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate?
The InChIKey is GMPXXIQYQXWGHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H21N2.C2HF3O2.CH4/c1-6-10(4,5)8-7-9(2)3;3-2(4,5)1(6)7;/h6-8H2,1-5H3;(H,6,7);1H4/q+1;;/p-1.
What are the key properties of 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate?
2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate has a molecular weight of 274.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-ethyl-dimethylazanium;methane;2,2,2-trifluoroacetate is sourced from PubChem (CID 159986541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).