2-(dimethylamino)ethyl-icosyl-dimethylazanium

C26H57N2+ — CID 72947262

IUPAC2-(dimethylamino)ethyl-icosyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)C
InChIInChI=1S/C26H57N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(4,5)26-24-27(2)3/h6-26H2,1-5H3/q+1
InChIKeyIZCQJEWSWIIGBE-UHFFFAOYSA-N
MW397.76 g/mol
LogP7.67
Rot. Bonds22

About 2-(dimethylamino)ethyl-icosyl-dimethylazanium

2-(dimethylamino)ethyl-icosyl-dimethylazanium (PubChem CID 72947262) has the molecular formula C26H57N2+ and a molecular weight of 397.76 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-icosyl-dimethylazanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-icosyl-dimethylazanium
PubChem CID72947262
Molecular FormulaC26H57N2+
Molecular Weight397.76 g/mol
Exact Mass397.45
IUPAC Name2-(dimethylamino)ethyl-icosyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)C
InChIInChI=1S/C26H57N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(4,5)26-24-27(2)3/h6-26H2,1-5H3/q+1
InChIKeyIZCQJEWSWIIGBE-UHFFFAOYSA-N
XLogP7.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.76
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
6-(dimethylamino)hexyl-dodecyl-dimethylazanium
CID 86012356
2-[2-[dimethyl(tridecyl)azaniumyl]ethyl-methylamino]ethyl-dimethyl-tridecylazanium
CID 175684926
dodecyl-[2-[dodecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167611622
hexadecyl-[2-[hexadecyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;methane
CID 167589722
dodecyl-[2-[2-[2-[dodecyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl-methylamino]ethyl]-dimethylazanium dibromide
CID 118721070
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
heptyl-dimethyl-undecylazanium
CID 122480849

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-icosyl-dimethylazanium?
The IUPAC name of 2-(dimethylamino)ethyl-icosyl-dimethylazanium (CID 72947262) is 2-(dimethylamino)ethyl-icosyl-dimethylazanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-icosyl-dimethylazanium?
The canonical SMILES for 2-(dimethylamino)ethyl-icosyl-dimethylazanium is CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl-icosyl-dimethylazanium?
The InChIKey is IZCQJEWSWIIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(4,5)26-24-27(2)3/h6-26H2,1-5H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-icosyl-dimethylazanium?
2-(dimethylamino)ethyl-icosyl-dimethylazanium has a molecular weight of 397.76 g/mol, XLogP of 7.67, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-icosyl-dimethylazanium is sourced from PubChem (CID 72947262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).