dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium

C22H41N2+ — CID 177386872

IUPACdimethyl-(pyridin-4-ylmethyl)-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccncc1
InChIInChI=1S/C22H41N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-24(2,3)21-22-16-18-23-19-17-22/h16-19H,4-15,20-21H2,1-3H3/q+1
InChIKeyVIUKSYOCORVJHM-UHFFFAOYSA-N
MW333.58 g/mol
LogP6.36
Rot. Bonds15

About dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium

dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium (PubChem CID 177386872) has the molecular formula C22H41N2+ and a molecular weight of 333.58 g/mol. Its IUPAC name is dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium.

Molecular Properties

Compound Namedimethyl-(pyridin-4-ylmethyl)-tetradecylazanium
PubChem CID177386872
Molecular FormulaC22H41N2+
Molecular Weight333.58 g/mol
Exact Mass333.33
IUPAC Namedimethyl-(pyridin-4-ylmethyl)-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccncc1
InChIInChI=1S/C22H41N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-24(2,3)21-22-16-18-23-19-17-22/h16-19H,4-15,20-21H2,1-3H3/q+1
InChIKeyVIUKSYOCORVJHM-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.58
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-octadecyl-(pyridin-4-ylmethyl)azanium
CID 177402610
hexadecyl-[[4-[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]phenyl]methyl]-dimethylazanium dichloride
CID 10169550
benzyl-heptyl-dimethylazanium chloride
CID 23274918
decyl-[[4-[4-[[decyl(dimethyl)azaniumyl]methyl]phenyl]phenyl]methyl]-dimethylazanium dichloride
CID 10461558
dimethyl-[(4-pentylphenyl)methyl]-tetradecylazanium chloride
CID 87759405
bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
CID 158851998
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
(4-chlorophenyl)methyl-dimethyl-octadecylazanium chloride
CID 71351781
(4-chlorophenyl)methyl-dimethyl-octylazanium chloride
CID 23275562
benzyl-hexadecyl-dimethylazanium;hydrobromide
CID 174689063

Frequently Asked Questions

What is the IUPAC name of dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium?
The IUPAC name of dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium (CID 177386872) is dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium.
What is the SMILES notation for dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium?
The canonical SMILES for dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)Cc1ccncc1.
What is the InChIKey of dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium?
The InChIKey is VIUKSYOCORVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-24(2,3)21-22-16-18-23-19-17-22/h16-19H,4-15,20-21H2,1-3H3/q+1.
What are the key properties of dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium?
dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium has a molecular weight of 333.58 g/mol, XLogP of 6.36, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(pyridin-4-ylmethyl)-tetradecylazanium is sourced from PubChem (CID 177386872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).