4-tetracos-1-en-2-ylpyridine

C29H51N — CID 69120272

IUPAC4-tetracos-1-en-2-ylpyridine
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCC)c1ccncc1
InChIInChI=1S/C29H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)29-24-26-30-27-25-29/h24-27H,2-23H2,1H3
InChIKeyNIDRZIGIFCLWJR-UHFFFAOYSA-N
MW413.73 g/mol
LogP10.31
Rot. Bonds22

About 4-tetracos-1-en-2-ylpyridine

4-tetracos-1-en-2-ylpyridine (PubChem CID 69120272) has the molecular formula C29H51N and a molecular weight of 413.73 g/mol. Its IUPAC name is 4-tetracos-1-en-2-ylpyridine.

Molecular Properties

Compound Name4-tetracos-1-en-2-ylpyridine
PubChem CID69120272
Molecular FormulaC29H51N
Molecular Weight413.73 g/mol
Exact Mass413.40
IUPAC Name4-tetracos-1-en-2-ylpyridine
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCC)c1ccncc1
InChIInChI=1S/C29H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)29-24-26-30-27-25-29/h24-27H,2-23H2,1H3
InChIKeyNIDRZIGIFCLWJR-UHFFFAOYSA-N
XLogP10.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 510.31
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

1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
1-pyridin-4-ylhexadecan-1-one
CID 102412701
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
3-hept-1-en-2-ylphenol
CID 67877089
2-hept-1-en-2-ylpyridine
CID 67857415
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1,1-dipyridin-4-ylhexadecan-2-one
CID 69340505
nonyl pyridine-4-carboxylate
CID 531737
N-hexylpyridine-4-carboxamide
CID 3423732

Frequently Asked Questions

What is the IUPAC name of 4-tetracos-1-en-2-ylpyridine?
The IUPAC name of 4-tetracos-1-en-2-ylpyridine (CID 69120272) is 4-tetracos-1-en-2-ylpyridine.
What is the SMILES notation for 4-tetracos-1-en-2-ylpyridine?
The canonical SMILES for 4-tetracos-1-en-2-ylpyridine is C=C(CCCCCCCCCCCCCCCCCCCCCC)c1ccncc1.
What is the InChIKey of 4-tetracos-1-en-2-ylpyridine?
The InChIKey is NIDRZIGIFCLWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)29-24-26-30-27-25-29/h24-27H,2-23H2,1H3.
What are the key properties of 4-tetracos-1-en-2-ylpyridine?
4-tetracos-1-en-2-ylpyridine has a molecular weight of 413.73 g/mol, XLogP of 10.31, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetracos-1-en-2-ylpyridine is sourced from PubChem (CID 69120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).