1-dodecyl-2H-pyridine

C17H31N — CID 23024641

IUPAC1-dodecyl-2H-pyridine
SMILESCCCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C17H31N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16H,2-10,12,15,17H2,1H3
InChIKeyYIOGLGOXZGOFCZ-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.29
Rot. Bonds11

About 1-dodecyl-2H-pyridine

1-dodecyl-2H-pyridine (PubChem CID 23024641) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-dodecyl-2H-pyridine.

Molecular Properties

Compound Name1-dodecyl-2H-pyridine
PubChem CID23024641
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-dodecyl-2H-pyridine
SMILESCCCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C17H31N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16H,2-10,12,15,17H2,1H3
InChIKeyYIOGLGOXZGOFCZ-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.29
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
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-dodecyl-2H-pyridine?
The IUPAC name of 1-dodecyl-2H-pyridine (CID 23024641) is 1-dodecyl-2H-pyridine.
What is the SMILES notation for 1-dodecyl-2H-pyridine?
The canonical SMILES for 1-dodecyl-2H-pyridine is CCCCCCCCCCCCN1C=CC=CC1.
What is the InChIKey of 1-dodecyl-2H-pyridine?
The InChIKey is YIOGLGOXZGOFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16H,2-10,12,15,17H2,1H3.
What are the key properties of 1-dodecyl-2H-pyridine?
1-dodecyl-2H-pyridine has a molecular weight of 249.44 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2H-pyridine is sourced from PubChem (CID 23024641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).