trimethyl-[20-(trimethylazaniumyl)icosyl]azanium

C26H58N2+2 — CID 10318705

IUPACtrimethyl-[20-(trimethylazaniumyl)icosyl]azanium
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C26H58N2/c1-27(2,3)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(4,5)6/h7-26H2,1-6H3/q+2
InChIKeyILIJCRNUNHXAHE-UHFFFAOYSA-N
MW398.76 g/mol
LogP7.42
Rot. Bonds21

About trimethyl-[20-(trimethylazaniumyl)icosyl]azanium

trimethyl-[20-(trimethylazaniumyl)icosyl]azanium (PubChem CID 10318705) has the molecular formula C26H58N2+2 and a molecular weight of 398.76 g/mol. Its IUPAC name is trimethyl-[20-(trimethylazaniumyl)icosyl]azanium.

Molecular Properties

Compound Nametrimethyl-[20-(trimethylazaniumyl)icosyl]azanium
PubChem CID10318705
Molecular FormulaC26H58N2+2
Molecular Weight398.76 g/mol
Exact Mass398.46
IUPAC Nametrimethyl-[20-(trimethylazaniumyl)icosyl]azanium
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C26H58N2/c1-27(2,3)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(4,5)6/h7-26H2,1-6H3/q+2
InChIKeyILIJCRNUNHXAHE-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.76
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
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(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
17-aminoheptadecyl(trimethyl)azanium
CID 155769924
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247

Frequently Asked Questions

What is the IUPAC name of trimethyl-[20-(trimethylazaniumyl)icosyl]azanium?
The IUPAC name of trimethyl-[20-(trimethylazaniumyl)icosyl]azanium (CID 10318705) is trimethyl-[20-(trimethylazaniumyl)icosyl]azanium.
What is the SMILES notation for trimethyl-[20-(trimethylazaniumyl)icosyl]azanium?
The canonical SMILES for trimethyl-[20-(trimethylazaniumyl)icosyl]azanium is C[N+](C)(C)CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[20-(trimethylazaniumyl)icosyl]azanium?
The InChIKey is ILIJCRNUNHXAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58N2/c1-27(2,3)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(4,5)6/h7-26H2,1-6H3/q+2.
What are the key properties of trimethyl-[20-(trimethylazaniumyl)icosyl]azanium?
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium has a molecular weight of 398.76 g/mol, XLogP of 7.42, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[20-(trimethylazaniumyl)icosyl]azanium is sourced from PubChem (CID 10318705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).