1-decyl-3-tetradecylpyridin-1-ium

C29H54N+ — CID 69387489

IUPAC1-decyl-3-tetradecylpyridin-1-ium
SMILESCCCCCCCCCCCCCCc1ccc[n+](CCCCCCCCCC)c1
InChIInChI=1S/C29H54N/c1-3-5-7-9-11-13-14-15-16-17-19-21-24-29-25-23-27-30(28-29)26-22-20-18-12-10-8-6-4-2/h23,25,27-28H,3-22,24,26H2,1-2H3/q+1
InChIKeyWYHONVFHSYTNAK-UHFFFAOYSA-N
MW416.76 g/mol
LogP9.36
Rot. Bonds22

About 1-decyl-3-tetradecylpyridin-1-ium

1-decyl-3-tetradecylpyridin-1-ium (PubChem CID 69387489) has the molecular formula C29H54N+ and a molecular weight of 416.76 g/mol. Its IUPAC name is 1-decyl-3-tetradecylpyridin-1-ium.

Molecular Properties

Compound Name1-decyl-3-tetradecylpyridin-1-ium
PubChem CID69387489
Molecular FormulaC29H54N+
Molecular Weight416.76 g/mol
Exact Mass416.43
IUPAC Name1-decyl-3-tetradecylpyridin-1-ium
SMILESCCCCCCCCCCCCCCc1ccc[n+](CCCCCCCCCC)c1
InChIInChI=1S/C29H54N/c1-3-5-7-9-11-13-14-15-16-17-19-21-24-29-25-23-27-30(28-29)26-22-20-18-12-10-8-6-4-2/h23,25,27-28H,3-22,24,26H2,1-2H3/q+1
InChIKeyWYHONVFHSYTNAK-UHFFFAOYSA-N
XLogP9.36
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.76
LogP ≤ 59.36
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

3-octyl-1-undecylpyridin-1-ium
CID 69390098
1-dodecyl-3-heptadecylpyridin-1-ium
CID 69396835
3-decyl-1-nonylpyridin-1-ium
CID 69391901
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
1-hexyl-3-tridecylpyridin-1-ium
CID 69392131
1-nonadecyl-3-octylpyridin-1-ium
CID 69390200
1-dodecyl-3-heptylpyridin-1-ium
CID 69392967
3-butyl-1-octadecylpyridin-1-ium
CID 69394890
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997
3-butyl-1-heptylpyridin-1-ium
CID 69397498

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-tetradecylpyridin-1-ium?
The IUPAC name of 1-decyl-3-tetradecylpyridin-1-ium (CID 69387489) is 1-decyl-3-tetradecylpyridin-1-ium.
What is the SMILES notation for 1-decyl-3-tetradecylpyridin-1-ium?
The canonical SMILES for 1-decyl-3-tetradecylpyridin-1-ium is CCCCCCCCCCCCCCc1ccc[n+](CCCCCCCCCC)c1.
What is the InChIKey of 1-decyl-3-tetradecylpyridin-1-ium?
The InChIKey is WYHONVFHSYTNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N/c1-3-5-7-9-11-13-14-15-16-17-19-21-24-29-25-23-27-30(28-29)26-22-20-18-12-10-8-6-4-2/h23,25,27-28H,3-22,24,26H2,1-2H3/q+1.
What are the key properties of 1-decyl-3-tetradecylpyridin-1-ium?
1-decyl-3-tetradecylpyridin-1-ium has a molecular weight of 416.76 g/mol, XLogP of 9.36, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-tetradecylpyridin-1-ium is sourced from PubChem (CID 69387489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).