1-dodecylpyridin-1-ium iodide

C17H30IN — CID 18192

IUPAC1-dodecylpyridin-1-ium iodide
SMILESCCCCCCCCCCCC[n+]1ccccc1.[I-]
InChIInChI=1S/C17H30N.HI/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;1H/q+1;/p-1
InChIKeyGZNACENTEXAZDR-UHFFFAOYSA-M
MW375.34 g/mol
LogP1.90
Rot. Bonds11

About 1-dodecylpyridin-1-ium iodide

1-dodecylpyridin-1-ium iodide (PubChem CID 18192) has the molecular formula C17H30IN and a molecular weight of 375.34 g/mol. Its IUPAC name is 1-dodecylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-dodecylpyridin-1-ium iodide
PubChem CID18192
Molecular FormulaC17H30IN
Molecular Weight375.34 g/mol
Exact Mass375.14
IUPAC Name1-dodecylpyridin-1-ium iodide
SMILESCCCCCCCCCCCC[n+]1ccccc1.[I-]
InChIInChI=1S/C17H30N.HI/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;1H/q+1;/p-1
InChIKeyGZNACENTEXAZDR-UHFFFAOYSA-M
XLogP1.90
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecylpyridin-1-ium iodide?
The IUPAC name of 1-dodecylpyridin-1-ium iodide (CID 18192) is 1-dodecylpyridin-1-ium iodide.
What is the SMILES notation for 1-dodecylpyridin-1-ium iodide?
The canonical SMILES for 1-dodecylpyridin-1-ium iodide is CCCCCCCCCCCC[n+]1ccccc1.[I-].
What is the InChIKey of 1-dodecylpyridin-1-ium iodide?
The InChIKey is GZNACENTEXAZDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H30N.HI/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;1H/q+1;/p-1.
What are the key properties of 1-dodecylpyridin-1-ium iodide?
1-dodecylpyridin-1-ium iodide has a molecular weight of 375.34 g/mol, XLogP of 1.90, 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 iodide is sourced from PubChem (CID 18192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).