tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide

C64H152I8N8 — CID 173060606

IUPACtetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/4C16H38N2.8HI/c4*1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;;;;;;;/h4*7-16H2,1-6H3;8*1H/q4*+2;;;;;;;;/p-8
InChIKeyRPDARPFJKXOWNS-UHFFFAOYSA-F
MW2049.21 g/mol
LogP-9.89
Rot. Bonds44

About tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide

tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide (PubChem CID 173060606) has the molecular formula C64H152I8N8 and a molecular weight of 2049.21 g/mol. Its IUPAC name is tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide.

Molecular Properties

Compound Nametetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
PubChem CID173060606
Molecular FormulaC64H152I8N8
Molecular Weight2049.21 g/mol
Exact Mass2048.45
IUPAC Nametetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/4C16H38N2.8HI/c4*1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;;;;;;;/h4*7-16H2,1-6H3;8*1H/q4*+2;;;;;;;;/p-8
InChIKeyRPDARPFJKXOWNS-UHFFFAOYSA-F
XLogP-9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms80
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002049.21
LogP ≤ 5-9.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl(pentyl)azanium iodide
CID 29431
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611

Frequently Asked Questions

What is the IUPAC name of tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide?
The IUPAC name of tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide (CID 173060606) is tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide.
What is the SMILES notation for tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide?
The canonical SMILES for tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide is C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].
What is the InChIKey of tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide?
The InChIKey is RPDARPFJKXOWNS-UHFFFAOYSA-F. The full InChI is InChI=1S/4C16H38N2.8HI/c4*1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;;;;;;;/h4*7-16H2,1-6H3;8*1H/q4*+2;;;;;;;;/p-8.
What are the key properties of tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide?
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide has a molecular weight of 2049.21 g/mol, XLogP of -9.89, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide is sourced from PubChem (CID 173060606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).