azane;1-ethyl-2,4,6-trimethylpyridin-1-ium

C10H19N2+ — CID 68931316

IUPACazane;1-ethyl-2,4,6-trimethylpyridin-1-ium
SMILESCC[n+]1c(C)cc(C)cc1C.N
InChIInChI=1S/C10H16N.H3N/c1-5-11-9(3)6-8(2)7-10(11)4;/h6-7H,5H2,1-4H3;1H3/q+1;
InChIKeyLVNXDADVHGVODV-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.08
Rot. Bonds1

About azane;1-ethyl-2,4,6-trimethylpyridin-1-ium

azane;1-ethyl-2,4,6-trimethylpyridin-1-ium (PubChem CID 68931316) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is azane;1-ethyl-2,4,6-trimethylpyridin-1-ium.

Molecular Properties

Compound Nameazane;1-ethyl-2,4,6-trimethylpyridin-1-ium
PubChem CID68931316
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Nameazane;1-ethyl-2,4,6-trimethylpyridin-1-ium
SMILESCC[n+]1c(C)cc(C)cc1C.N
InChIInChI=1S/C10H16N.H3N/c1-5-11-9(3)6-8(2)7-10(11)4;/h6-7H,5H2,1-4H3;1H3/q+1;
InChIKeyLVNXDADVHGVODV-UHFFFAOYSA-N
XLogP2.08
TPSA38.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;1-ethyl-2,4,6-trimethylpyridin-1-ium?
The IUPAC name of azane;1-ethyl-2,4,6-trimethylpyridin-1-ium (CID 68931316) is azane;1-ethyl-2,4,6-trimethylpyridin-1-ium.
What is the SMILES notation for azane;1-ethyl-2,4,6-trimethylpyridin-1-ium?
The canonical SMILES for azane;1-ethyl-2,4,6-trimethylpyridin-1-ium is CC[n+]1c(C)cc(C)cc1C.N.
What is the InChIKey of azane;1-ethyl-2,4,6-trimethylpyridin-1-ium?
The InChIKey is LVNXDADVHGVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.H3N/c1-5-11-9(3)6-8(2)7-10(11)4;/h6-7H,5H2,1-4H3;1H3/q+1;.
What are the key properties of azane;1-ethyl-2,4,6-trimethylpyridin-1-ium?
azane;1-ethyl-2,4,6-trimethylpyridin-1-ium has a molecular weight of 167.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethyl-2,4,6-trimethylpyridin-1-ium is sourced from PubChem (CID 68931316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).