bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium

C17H34F6N2O4S2 — CID 87089432

IUPACbis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium
SMILESCCCCCCC[N+](CC)(C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H34N.C2F6NO4S2/c1-7-9-10-11-12-13-16(8-2,14(3)4)15(5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-15H,7-13H2,1-6H3;/q+1;-1
InChIKeyFAMRARHPSQGPJL-UHFFFAOYSA-N
MW508.59 g/mol
LogP5.67
Rot. Bonds11

About bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium

bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium (PubChem CID 87089432) has the molecular formula C17H34F6N2O4S2 and a molecular weight of 508.59 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium
PubChem CID87089432
Molecular FormulaC17H34F6N2O4S2
Molecular Weight508.59 g/mol
Exact Mass508.19
IUPAC Namebis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium
SMILESCCCCCCC[N+](CC)(C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H34N.C2F6NO4S2/c1-7-9-10-11-12-13-16(8-2,14(3)4)15(5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-15H,7-13H2,1-6H3;/q+1;-1
InChIKeyFAMRARHPSQGPJL-UHFFFAOYSA-N
XLogP5.67
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.59
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Methyltricaprylylammonium bistriflamide
CID 16211009
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
Triethyloctylammonium bis(trifluoromethylsulfonyl)imide
CID 121235740
Cyclohexyltrimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 44629769
Hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 121235739
Tetraoctylammonium bis(trifluoromethylsulfonyl)imide
CID 11181779
Tetra-n-hexylammonium bis(trifluoromethylsulfonyl) amide
CID 12184312
Trimethyloctylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 25171606
Trimethyl-n-heptylammonium-bis(trifluoromethylsulfonyl) amide
CID 25172828
Tri-n-butyl-n-heptylammonium bis(trifluoromethylsulfonyl) amide
CID 25173211

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium (CID 87089432) is bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium is CCCCCCC[N+](CC)(C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium?
The InChIKey is FAMRARHPSQGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N.C2F6NO4S2/c1-7-9-10-11-12-13-16(8-2,14(3)4)15(5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-15H,7-13H2,1-6H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium?
bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium has a molecular weight of 508.59 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;ethyl-heptyl-di(propan-2-yl)azanium is sourced from PubChem (CID 87089432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).