3-ethyl-2-methyl-4-octylpyridine

C16H27N — CID 175330346

IUPAC3-ethyl-2-methyl-4-octylpyridine
SMILESCCCCCCCCc1ccnc(C)c1CC
InChIInChI=1S/C16H27N/c1-4-6-7-8-9-10-11-15-12-13-17-14(3)16(15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyCPWSDZYODPXGRQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.86
Rot. Bonds8

About 3-ethyl-2-methyl-4-octylpyridine

3-ethyl-2-methyl-4-octylpyridine (PubChem CID 175330346) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-octylpyridine.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-octylpyridine
PubChem CID175330346
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-ethyl-2-methyl-4-octylpyridine
SMILESCCCCCCCCc1ccnc(C)c1CC
InChIInChI=1S/C16H27N/c1-4-6-7-8-9-10-11-15-12-13-17-14(3)16(15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyCPWSDZYODPXGRQ-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.86
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 3-ethyl-2-methyl-4-octylpyridine?
The IUPAC name of 3-ethyl-2-methyl-4-octylpyridine (CID 175330346) is 3-ethyl-2-methyl-4-octylpyridine.
What is the SMILES notation for 3-ethyl-2-methyl-4-octylpyridine?
The canonical SMILES for 3-ethyl-2-methyl-4-octylpyridine is CCCCCCCCc1ccnc(C)c1CC.
What is the InChIKey of 3-ethyl-2-methyl-4-octylpyridine?
The InChIKey is CPWSDZYODPXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-7-8-9-10-11-15-12-13-17-14(3)16(15)5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-4-octylpyridine?
3-ethyl-2-methyl-4-octylpyridine has a molecular weight of 233.40 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-octylpyridine is sourced from PubChem (CID 175330346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).