2-dodecyl-3-ethylpyridine

C19H33N — CID 160514040

IUPAC2-dodecyl-3-ethylpyridine
SMILESCCCCCCCCCCCCc1ncccc1CC
InChIInChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-12-13-16-19-18(4-2)15-14-17-20-19/h14-15,17H,3-13,16H2,1-2H3
InChIKeyQTKKMSNWVQPQOK-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.11
Rot. Bonds12

About 2-dodecyl-3-ethylpyridine

2-dodecyl-3-ethylpyridine (PubChem CID 160514040) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-dodecyl-3-ethylpyridine.

Molecular Properties

Compound Name2-dodecyl-3-ethylpyridine
PubChem CID160514040
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-dodecyl-3-ethylpyridine
SMILESCCCCCCCCCCCCc1ncccc1CC
InChIInChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-12-13-16-19-18(4-2)15-14-17-20-19/h14-15,17H,3-13,16H2,1-2H3
InChIKeyQTKKMSNWVQPQOK-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.11
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

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Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-3-ethylpyridine?
The IUPAC name of 2-dodecyl-3-ethylpyridine (CID 160514040) is 2-dodecyl-3-ethylpyridine.
What is the SMILES notation for 2-dodecyl-3-ethylpyridine?
The canonical SMILES for 2-dodecyl-3-ethylpyridine is CCCCCCCCCCCCc1ncccc1CC.
What is the InChIKey of 2-dodecyl-3-ethylpyridine?
The InChIKey is QTKKMSNWVQPQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-6-7-8-9-10-11-12-13-16-19-18(4-2)15-14-17-20-19/h14-15,17H,3-13,16H2,1-2H3.
What are the key properties of 2-dodecyl-3-ethylpyridine?
2-dodecyl-3-ethylpyridine has a molecular weight of 275.48 g/mol, XLogP of 6.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-3-ethylpyridine is sourced from PubChem (CID 160514040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).