bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium

C21H42F6N2O5S2 — CID 134716532

IUPACbis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium
SMILESCCCCC[N+](CCCCC)(CCCCC)CCOCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H42NO.C2F6NO4S2/c1-5-9-12-15-20(16-13-10-6-2,17-14-11-7-3)18-19-21-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-19H2,1-4H3;/q+1;-1
InChIKeyYGUXVUXIERLFLJ-UHFFFAOYSA-N
MW580.70 g/mol
LogP6.47
Rot. Bonds18

About bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium

bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium (PubChem CID 134716532) has the molecular formula C21H42F6N2O5S2 and a molecular weight of 580.70 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium
PubChem CID134716532
Molecular FormulaC21H42F6N2O5S2
Molecular Weight580.70 g/mol
Exact Mass580.24
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium
SMILESCCCCC[N+](CCCCC)(CCCCC)CCOCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H42NO.C2F6NO4S2/c1-5-9-12-15-20(16-13-10-6-2,17-14-11-7-3)18-19-21-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-19H2,1-4H3;/q+1;-1
InChIKeyYGUXVUXIERLFLJ-UHFFFAOYSA-N
XLogP6.47
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
N-methoxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 121235361
Triethylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716438
N-(2-methoxyethyl)-N-methylazepanium bis(trifluoromethylsulfonyl)amide
CID 134716440
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461
N,N-bis(methoxyethyl)piperidinium bis(trifluoromethylsulfonyl)imide
CID 134716478
N-(2-methoxyethoxy)ethyl-N-methylazepanium bis(trifluoromethylsulfonyl) amide
CID 134716492
N-methoxyethyl-N-ethoxyethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716498
1-Ethoxyethyl-1-methylpyrrolidinium Bis (trifluoromethylsulfonyl)imide
CID 54613092
N-methoxyethyl-N-ethoxyethylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716487
Tributylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716520

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium (CID 134716532) is bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium is CCCCC[N+](CCCCC)(CCCCC)CCOCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium?
The InChIKey is YGUXVUXIERLFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42NO.C2F6NO4S2/c1-5-9-12-15-20(16-13-10-6-2,17-14-11-7-3)18-19-21-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-19H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium?
bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium has a molecular weight of 580.70 g/mol, XLogP of 6.47, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(tripentyl)azanium is sourced from PubChem (CID 134716532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).