2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium

C24H38N2+2 — CID 67556970

IUPAC2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium
SMILESCCCCCCCCCCCCCC[n+]1ccccc1-[n+]1ccccc1
InChIInChI=1S/C24H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-26-23-18-14-19-24(26)25-21-16-13-17-22-25/h13-14,16-19,21-23H,2-12,15,20H2,1H3/q+2
InChIKeyVPMJLJVUTRFCEW-UHFFFAOYSA-N
MW354.58 g/mol
LogP5.95
Rot. Bonds14

About 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium

2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium (PubChem CID 67556970) has the molecular formula C24H38N2+2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium.

Molecular Properties

Compound Name2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium
PubChem CID67556970
Molecular FormulaC24H38N2+2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium
SMILESCCCCCCCCCCCCCC[n+]1ccccc1-[n+]1ccccc1
InChIInChI=1S/C24H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-26-23-18-14-19-24(26)25-21-16-13-17-22-25/h13-14,16-19,21-23H,2-12,15,20H2,1H3/q+2
InChIKeyVPMJLJVUTRFCEW-UHFFFAOYSA-N
XLogP5.95
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 55.95
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-heptyl-2-pyridin-1-ium-1-ylpyridin-1-ium dichloride
CID 70005221
1-hexyl-2-(3-hexylpyridin-1-ium-1-yl)pyridin-1-ium
CID 70524233
1-heptyl-2-propylpyridin-1-ium fluoride
CID 171570135
2-bromo-1-octadecylpyridin-1-ium
CID 159905409
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-bromo-1-docosylpyridin-1-ium
CID 174958496
1-hexylpyridin-1-ium-2-amine
CID 12924167
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium?
The IUPAC name of 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium (CID 67556970) is 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium.
What is the SMILES notation for 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium?
The canonical SMILES for 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium is CCCCCCCCCCCCCC[n+]1ccccc1-[n+]1ccccc1.
What is the InChIKey of 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium?
The InChIKey is VPMJLJVUTRFCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-26-23-18-14-19-24(26)25-21-16-13-17-22-25/h13-14,16-19,21-23H,2-12,15,20H2,1H3/q+2.
What are the key properties of 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium?
2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium has a molecular weight of 354.58 g/mol, XLogP of 5.95, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-1-ium-1-yl-1-tetradecylpyridin-1-ium is sourced from PubChem (CID 67556970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).