10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium

C21H40N2+2 — CID 11217194

IUPAC10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCCCCCCCCC[n+]1cc(C)cc(C)c1
InChIInChI=1S/C21H40N2/c1-6-23(4,5)16-14-12-10-8-7-9-11-13-15-22-18-20(2)17-21(3)19-22/h17-19H,6-16H2,1-5H3/q+2
InChIKeyMKLXFTGGWZTXBO-UHFFFAOYSA-N
MW320.56 g/mol
LogP4.81
Rot. Bonds12

About 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium

10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium (PubChem CID 11217194) has the molecular formula C21H40N2+2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium
PubChem CID11217194
Molecular FormulaC21H40N2+2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCCCCCCCCC[n+]1cc(C)cc(C)c1
InChIInChI=1S/C21H40N2/c1-6-23(4,5)16-14-12-10-8-7-9-11-13-15-22-18-20(2)17-21(3)19-22/h17-19H,6-16H2,1-5H3/q+2
InChIKeyMKLXFTGGWZTXBO-UHFFFAOYSA-N
XLogP4.81
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 54.81
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_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,5-dimethylpyridin-1-ium-1-yl)butyl]-3,5-dimethylpyridin-1-ium;dihydrobromide
CID 126960257
1-[3-(3,5-dimethylpyridin-1-ium-1-yl)propyl]-3,5-dimethylpyridin-1-ium;dihydrobromide
CID 126960264
1-butyl-3,5-dimethylpyridin-1-ium;trihydrobromide
CID 174818728
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
1-[2-[2-[2-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylpyridin-1-ium
CID 24742174
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
dimethyl(dioctadecyl)azanium;1-octadecylpyridin-1-ium;trimethyl(octadecyl)azanium
CID 159366084
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
1-[3-[3-[3-(3,5-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-3,5-dimethylpyridin-1-ium
CID 69030085

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium?
The IUPAC name of 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium (CID 11217194) is 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium.
What is the SMILES notation for 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium?
The canonical SMILES for 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium is CC[N+](C)(C)CCCCCCCCCC[n+]1cc(C)cc(C)c1.
What is the InChIKey of 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium?
The InChIKey is MKLXFTGGWZTXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-6-23(4,5)16-14-12-10-8-7-9-11-13-15-22-18-20(2)17-21(3)19-22/h17-19H,6-16H2,1-5H3/q+2.
What are the key properties of 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium?
10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium has a molecular weight of 320.56 g/mol, XLogP of 4.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-dimethylpyridin-1-ium-1-yl)decyl-ethyl-dimethylazanium is sourced from PubChem (CID 11217194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).