4-dodecylpyridin-1-ium iodide

C17H30IN — CID 175685302

IUPAC4-dodecylpyridin-1-ium iodide
SMILESCCCCCCCCCCCCc1cc[nH+]cc1.[I-]
InChIInChI=1S/C17H29N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17;/h13-16H,2-12H2,1H3;1H
InChIKeyKHGXPQDIEAEMAJ-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.97
Rot. Bonds11

About 4-dodecylpyridin-1-ium iodide

4-dodecylpyridin-1-ium iodide (PubChem CID 175685302) has the molecular formula C17H30IN and a molecular weight of 375.34 g/mol. Its IUPAC name is 4-dodecylpyridin-1-ium iodide.

Molecular Properties

Compound Name4-dodecylpyridin-1-ium iodide
PubChem CID175685302
Molecular FormulaC17H30IN
Molecular Weight375.34 g/mol
Exact Mass375.14
IUPAC Name4-dodecylpyridin-1-ium iodide
SMILESCCCCCCCCCCCCc1cc[nH+]cc1.[I-]
InChIInChI=1S/C17H29N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17;/h13-16H,2-12H2,1H3;1H
InChIKeyKHGXPQDIEAEMAJ-UHFFFAOYSA-N
XLogP1.97
TPSA14.14 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 ≤ 51.97
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'}

Analyze 4-dodecylpyridin-1-ium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
1-ethyl-4-octacosylbenzene
CID 175218304
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
3-dodecylpyridin-1-ium chloride
CID 19818975
azane;tetradecylbenzene
CID 70503489
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041

Frequently Asked Questions

What is the IUPAC name of 4-dodecylpyridin-1-ium iodide?
The IUPAC name of 4-dodecylpyridin-1-ium iodide (CID 175685302) is 4-dodecylpyridin-1-ium iodide.
What is the SMILES notation for 4-dodecylpyridin-1-ium iodide?
The canonical SMILES for 4-dodecylpyridin-1-ium iodide is CCCCCCCCCCCCc1cc[nH+]cc1.[I-].
What is the InChIKey of 4-dodecylpyridin-1-ium iodide?
The InChIKey is KHGXPQDIEAEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17;/h13-16H,2-12H2,1H3;1H.
What are the key properties of 4-dodecylpyridin-1-ium iodide?
4-dodecylpyridin-1-ium iodide has a molecular weight of 375.34 g/mol, XLogP of 1.97, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecylpyridin-1-ium iodide is sourced from PubChem (CID 175685302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).