1-octadecyl-2H-pyridine

C23H43N — CID 23024642

IUPAC1-octadecyl-2H-pyridine
SMILESCCCCCCCCCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C23H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22H,2-16,18,21,23H2,1H3
InChIKeyGIAOGUYVQBULDW-UHFFFAOYSA-N
MW333.60 g/mol
LogP7.63
Rot. Bonds17

About 1-octadecyl-2H-pyridine

1-octadecyl-2H-pyridine (PubChem CID 23024642) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is 1-octadecyl-2H-pyridine.

Molecular Properties

Compound Name1-octadecyl-2H-pyridine
PubChem CID23024642
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name1-octadecyl-2H-pyridine
SMILESCCCCCCCCCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C23H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22H,2-16,18,21,23H2,1H3
InChIKeyGIAOGUYVQBULDW-UHFFFAOYSA-N
XLogP7.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]-tridecylazanium iodide
CID 122181924
dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]-tetradecylazanium iodide
CID 122181926
hexadecyl-dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]azanium iodide
CID 122181928
dodecyl-dimethyl-[(2E,4E,6E)-octa-2,4,6-trienyl]azanium iodide
CID 122181922
dimethyl-octadecyl-[(2E,4E,6E)-octa-2,4,6-trienyl]azanium iodide
CID 122181930
N-hexadecylpyridine
CID 14178862
N-dodecyl-N-methylpyridinium bromide
CID 18323155
1-Octylpyridine
CID 19876511
1-n-Dodecylpyridine
CID 23024641
N-decylpyridine
CID 70479842
N-Cetyl-pyridin-hydrobromid
CID 70541737
1-Hexyl-3-methyl pyridine
CID 141117286

Frequently Asked Questions

What is the IUPAC name of 1-octadecyl-2H-pyridine?
The IUPAC name of 1-octadecyl-2H-pyridine (CID 23024642) is 1-octadecyl-2H-pyridine.
What is the SMILES notation for 1-octadecyl-2H-pyridine?
The canonical SMILES for 1-octadecyl-2H-pyridine is CCCCCCCCCCCCCCCCCCN1C=CC=CC1.
What is the InChIKey of 1-octadecyl-2H-pyridine?
The InChIKey is GIAOGUYVQBULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22H,2-16,18,21,23H2,1H3.
What are the key properties of 1-octadecyl-2H-pyridine?
1-octadecyl-2H-pyridine has a molecular weight of 333.60 g/mol, XLogP of 7.63, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecyl-2H-pyridine is sourced from PubChem (CID 23024642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).