1-hexadecyl-2H-pyridine

C21H39N — CID 14178862

IUPAC1-hexadecyl-2H-pyridine
SMILESCCCCCCCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20H,2-14,16,19,21H2,1H3
InChIKeyHWFVEGMPSKKDQP-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.85
Rot. Bonds15

About 1-hexadecyl-2H-pyridine

1-hexadecyl-2H-pyridine (PubChem CID 14178862) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 1-hexadecyl-2H-pyridine.

Molecular Properties

Compound Name1-hexadecyl-2H-pyridine
PubChem CID14178862
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name1-hexadecyl-2H-pyridine
SMILESCCCCCCCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20H,2-14,16,19,21H2,1H3
InChIKeyHWFVEGMPSKKDQP-UHFFFAOYSA-N
XLogP6.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.85
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-dodecyl-N-methylpyridinium bromide
CID 18323155
1-Octylpyridine
CID 19876511
1-n-Dodecylpyridine
CID 23024641
N-octadecylpyridine
CID 23024642
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-hexadecyl-2H-pyridine?
The IUPAC name of 1-hexadecyl-2H-pyridine (CID 14178862) is 1-hexadecyl-2H-pyridine.
What is the SMILES notation for 1-hexadecyl-2H-pyridine?
The canonical SMILES for 1-hexadecyl-2H-pyridine is CCCCCCCCCCCCCCCCN1C=CC=CC1.
What is the InChIKey of 1-hexadecyl-2H-pyridine?
The InChIKey is HWFVEGMPSKKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20H,2-14,16,19,21H2,1H3.
What are the key properties of 1-hexadecyl-2H-pyridine?
1-hexadecyl-2H-pyridine has a molecular weight of 305.55 g/mol, XLogP of 6.85, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2H-pyridine is sourced from PubChem (CID 14178862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).