1-dodecylpyridin-1-ium

C17H30N+ — CID 7718

IUPAC1-dodecylpyridin-1-ium
SMILESCCCCCCCCCCCC[n+]1ccccc1
InChIInChI=1S/C17H30N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/q+1
InChIKeyFFYRIXSGFSWFAQ-UHFFFAOYSA-N
MW248.43 g/mol
LogP4.89
Rot. Bonds11

About 1-dodecylpyridin-1-ium

1-dodecylpyridin-1-ium (PubChem CID 7718) has the molecular formula C17H30N+ and a molecular weight of 248.43 g/mol. Its IUPAC name is 1-dodecylpyridin-1-ium.

Molecular Properties

Compound Name1-dodecylpyridin-1-ium
PubChem CID7718
Molecular FormulaC17H30N+
Molecular Weight248.43 g/mol
Exact Mass248.24
IUPAC Name1-dodecylpyridin-1-ium
SMILESCCCCCCCCCCCC[n+]1ccccc1
InChIInChI=1S/C17H30N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/q+1
InChIKeyFFYRIXSGFSWFAQ-UHFFFAOYSA-N
XLogP4.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 54.89
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'}

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Related Compounds

1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-tridecylpyridin-1-ium iodide
CID 71429526
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
disodium;1-hexadecylpyridin-1-ium
CID 67644127
1-dodecylpyridin-1-ium;iodide;dihydroiodide
CID 173462449
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
1-hexadecylpyridin-1-ium;methanamine;chloride
CID 173138894

Frequently Asked Questions

What is the IUPAC name of 1-dodecylpyridin-1-ium?
The IUPAC name of 1-dodecylpyridin-1-ium (CID 7718) is 1-dodecylpyridin-1-ium.
What is the SMILES notation for 1-dodecylpyridin-1-ium?
The canonical SMILES for 1-dodecylpyridin-1-ium is CCCCCCCCCCCC[n+]1ccccc1.
What is the InChIKey of 1-dodecylpyridin-1-ium?
The InChIKey is FFYRIXSGFSWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/q+1.
What are the key properties of 1-dodecylpyridin-1-ium?
1-dodecylpyridin-1-ium has a molecular weight of 248.43 g/mol, XLogP of 4.89, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpyridin-1-ium is sourced from PubChem (CID 7718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).