4-methyl-1-octan-2-ylpyridin-1-ium

C14H24N+ — CID 152614919

IUPAC4-methyl-1-octan-2-ylpyridin-1-ium
SMILESCCCCCCC(C)[n+]1ccc(C)cc1
InChIInChI=1S/C14H24N/c1-4-5-6-7-8-14(3)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3/q+1
InChIKeyZAHMSAUMUJWAPF-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.81
Rot. Bonds6

About 4-methyl-1-octan-2-ylpyridin-1-ium

4-methyl-1-octan-2-ylpyridin-1-ium (PubChem CID 152614919) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is 4-methyl-1-octan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name4-methyl-1-octan-2-ylpyridin-1-ium
PubChem CID152614919
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name4-methyl-1-octan-2-ylpyridin-1-ium
SMILESCCCCCCC(C)[n+]1ccc(C)cc1
InChIInChI=1S/C14H24N/c1-4-5-6-7-8-14(3)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3/q+1
InChIKeyZAHMSAUMUJWAPF-UHFFFAOYSA-N
XLogP3.81
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.81
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-(1-iodohexyl)-4-methylpyridin-1-ium
CID 69343172
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
3-octan-2-yl-1H-imidazol-3-ium
CID 66724305
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
butane;3-methyloctane;1,4-xylene
CID 144940276
1-methyl-4-octan-2-ylsulfanylbenzene
CID 14067707
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
1-methyl-4-(5-methylundecan-2-yl)benzene
CID 90908464
1-[(4-dodecylphenyl)methyl]-4-methylpyridin-1-ium
CID 23338458
1-methyl-4-undecan-6-ylbenzene
CID 54207407
dodecyl-tris(4-methylphenyl)phosphanium
CID 22556424
1-(1-bromooctyl)-4-methylbenzene
CID 63437569

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-octan-2-ylpyridin-1-ium?
The IUPAC name of 4-methyl-1-octan-2-ylpyridin-1-ium (CID 152614919) is 4-methyl-1-octan-2-ylpyridin-1-ium.
What is the SMILES notation for 4-methyl-1-octan-2-ylpyridin-1-ium?
The canonical SMILES for 4-methyl-1-octan-2-ylpyridin-1-ium is CCCCCCC(C)[n+]1ccc(C)cc1.
What is the InChIKey of 4-methyl-1-octan-2-ylpyridin-1-ium?
The InChIKey is ZAHMSAUMUJWAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-4-5-6-7-8-14(3)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3/q+1.
What are the key properties of 4-methyl-1-octan-2-ylpyridin-1-ium?
4-methyl-1-octan-2-ylpyridin-1-ium has a molecular weight of 206.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-octan-2-ylpyridin-1-ium is sourced from PubChem (CID 152614919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).