4-benzyl-1-propylpyridin-1-ium iodide

C15H18IN — CID 17385788

IUPAC4-benzyl-1-propylpyridin-1-ium iodide
SMILESCCC[n+]1ccc(Cc2ccccc2)cc1.[I-]
InChIInChI=1S/C15H18N.HI/c1-2-10-16-11-8-15(9-12-16)13-14-6-4-3-5-7-14;/h3-9,11-12H,2,10,13H2,1H3;1H/q+1;/p-1
InChIKeyMUXSERRIPUTXGD-UHFFFAOYSA-M
MW339.22 g/mol
LogP-0.02
Rot. Bonds4

About 4-benzyl-1-propylpyridin-1-ium iodide

4-benzyl-1-propylpyridin-1-ium iodide (PubChem CID 17385788) has the molecular formula C15H18IN and a molecular weight of 339.22 g/mol. Its IUPAC name is 4-benzyl-1-propylpyridin-1-ium iodide.

Molecular Properties

Compound Name4-benzyl-1-propylpyridin-1-ium iodide
PubChem CID17385788
Molecular FormulaC15H18IN
Molecular Weight339.22 g/mol
Exact Mass339.05
IUPAC Name4-benzyl-1-propylpyridin-1-ium iodide
SMILESCCC[n+]1ccc(Cc2ccccc2)cc1.[I-]
InChIInChI=1S/C15H18N.HI/c1-2-10-16-11-8-15(9-12-16)13-14-6-4-3-5-7-14;/h3-9,11-12H,2,10,13H2,1H3;1H/q+1;/p-1
InChIKeyMUXSERRIPUTXGD-UHFFFAOYSA-M
XLogP-0.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dipropylpyridin-1-ium
CID 69396586
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-ethylbenzene;methane
CID 144571765
4-methyl-1-propylpyridin-1-ium iodide
CID 15904240
4-benzyl-1-[2-(4-methoxyphenoxy)ethyl]pyridin-1-ium
CID 8859751
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
1-phenyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
CID 71338558
4-benzyl-1-[(2-methoxyphenyl)methyl]pyridin-1-ium
CID 8860166
N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline
CID 174176306
4-pentadecyl-1-propylpyridin-1-ium
CID 69392060
2-benzyl-1-butyl-3-ethylimidazol-1-ium
CID 87809346

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-propylpyridin-1-ium iodide?
The IUPAC name of 4-benzyl-1-propylpyridin-1-ium iodide (CID 17385788) is 4-benzyl-1-propylpyridin-1-ium iodide.
What is the SMILES notation for 4-benzyl-1-propylpyridin-1-ium iodide?
The canonical SMILES for 4-benzyl-1-propylpyridin-1-ium iodide is CCC[n+]1ccc(Cc2ccccc2)cc1.[I-].
What is the InChIKey of 4-benzyl-1-propylpyridin-1-ium iodide?
The InChIKey is MUXSERRIPUTXGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N.HI/c1-2-10-16-11-8-15(9-12-16)13-14-6-4-3-5-7-14;/h3-9,11-12H,2,10,13H2,1H3;1H/q+1;/p-1.
What are the key properties of 4-benzyl-1-propylpyridin-1-ium iodide?
4-benzyl-1-propylpyridin-1-ium iodide has a molecular weight of 339.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-propylpyridin-1-ium iodide is sourced from PubChem (CID 17385788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).