3-methyl-1-nonadecylpyridin-1-ium

C25H46N+ — CID 69388390

IUPAC3-methyl-1-nonadecylpyridin-1-ium
SMILESCCCCCCCCCCCCCCCCCCC[n+]1cccc(C)c1
InChIInChI=1S/C25H46N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-25(2)24-26/h20-21,23-24H,3-19,22H2,1-2H3/q+1
InChIKeyJNMDQRFYMGAACX-UHFFFAOYSA-N
MW360.65 g/mol
LogP7.93
Rot. Bonds18

About 3-methyl-1-nonadecylpyridin-1-ium

3-methyl-1-nonadecylpyridin-1-ium (PubChem CID 69388390) has the molecular formula C25H46N+ and a molecular weight of 360.65 g/mol. Its IUPAC name is 3-methyl-1-nonadecylpyridin-1-ium.

Molecular Properties

Compound Name3-methyl-1-nonadecylpyridin-1-ium
PubChem CID69388390
Molecular FormulaC25H46N+
Molecular Weight360.65 g/mol
Exact Mass360.36
IUPAC Name3-methyl-1-nonadecylpyridin-1-ium
SMILESCCCCCCCCCCCCCCCCCCC[n+]1cccc(C)c1
InChIInChI=1S/C25H46N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-25(2)24-26/h20-21,23-24H,3-19,22H2,1-2H3/q+1
InChIKeyJNMDQRFYMGAACX-UHFFFAOYSA-N
XLogP7.93
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.65
LogP ≤ 57.93
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-butyl-3-methylpyridin-1-ium chloride
CID 19876500
3-methyl-1-[11-(3-methylpyridin-1-ium-1-yl)undecyl]pyridin-1-ium diiodide
CID 46890477
1-butyl-3-methylpyridin-1-ium;molecular bromine;bromide
CID 25241724
1-butyl-3-methylpyridin-1-ium;1-butyl-4-methylpyridin-1-ium;diiodide
CID 172850562
1-(3-decylsulfanylpropyl)-3-methylpyridin-1-ium
CID 132574961
1-[2-(2-hexoxyethoxy)ethyl]-3-methylpyridin-1-ium
CID 24781977
1-hexyl-3-methylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87860907
1-tetradecyl-3-(1-tetradecylpyridin-1-ium-3-yl)pyridin-1-ium dibromide
CID 118708472
(1-tetradecylpyridin-1-ium-3-yl)methanol
CID 11760839
bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
CID 141205317
3-bromo-1-hexadecylpyridin-1-ium bromide
CID 129286173
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-nonadecylpyridin-1-ium?
The IUPAC name of 3-methyl-1-nonadecylpyridin-1-ium (CID 69388390) is 3-methyl-1-nonadecylpyridin-1-ium.
What is the SMILES notation for 3-methyl-1-nonadecylpyridin-1-ium?
The canonical SMILES for 3-methyl-1-nonadecylpyridin-1-ium is CCCCCCCCCCCCCCCCCCC[n+]1cccc(C)c1.
What is the InChIKey of 3-methyl-1-nonadecylpyridin-1-ium?
The InChIKey is JNMDQRFYMGAACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-25(2)24-26/h20-21,23-24H,3-19,22H2,1-2H3/q+1.
What are the key properties of 3-methyl-1-nonadecylpyridin-1-ium?
3-methyl-1-nonadecylpyridin-1-ium has a molecular weight of 360.65 g/mol, XLogP of 7.93, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nonadecylpyridin-1-ium is sourced from PubChem (CID 69388390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).