1-dodecyl-4-ethylidenepyridine

C19H33N — CID 57144895

IUPAC1-dodecyl-4-ethylidenepyridine
SMILESCC=C1C=CN(CCCCCCCCCCCC)C=C1
InChIInChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-14-19(4-2)15-18-20/h4,14-15,17-18H,3,5-13,16H2,1-2H3
InChIKeyFPZQXUQIJDQPJI-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.20
Rot. Bonds11

About 1-dodecyl-4-ethylidenepyridine

1-dodecyl-4-ethylidenepyridine (PubChem CID 57144895) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-dodecyl-4-ethylidenepyridine.

Molecular Properties

Compound Name1-dodecyl-4-ethylidenepyridine
PubChem CID57144895
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-dodecyl-4-ethylidenepyridine
SMILESCC=C1C=CN(CCCCCCCCCCCC)C=C1
InChIInChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-14-19(4-2)15-18-20/h4,14-15,17-18H,3,5-13,16H2,1-2H3
InChIKeyFPZQXUQIJDQPJI-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.20
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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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4-ethylidenepyridine?
The IUPAC name of 1-dodecyl-4-ethylidenepyridine (CID 57144895) is 1-dodecyl-4-ethylidenepyridine.
What is the SMILES notation for 1-dodecyl-4-ethylidenepyridine?
The canonical SMILES for 1-dodecyl-4-ethylidenepyridine is CC=C1C=CN(CCCCCCCCCCCC)C=C1.
What is the InChIKey of 1-dodecyl-4-ethylidenepyridine?
The InChIKey is FPZQXUQIJDQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-14-19(4-2)15-18-20/h4,14-15,17-18H,3,5-13,16H2,1-2H3.
What are the key properties of 1-dodecyl-4-ethylidenepyridine?
1-dodecyl-4-ethylidenepyridine has a molecular weight of 275.48 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4-ethylidenepyridine is sourced from PubChem (CID 57144895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).