4-hexyl-2,4,6-trimethyl-1H-pyridine

C14H25N — CID 101151039

IUPAC4-hexyl-2,4,6-trimethyl-1H-pyridine
SMILESCCCCCCC1(C)C=C(C)NC(C)=C1
InChIInChI=1S/C14H25N/c1-5-6-7-8-9-14(4)10-12(2)15-13(3)11-14/h10-11,15H,5-9H2,1-4H3
InChIKeyUDFHNURWXUCROQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.37
Rot. Bonds5

About 4-hexyl-2,4,6-trimethyl-1H-pyridine

4-hexyl-2,4,6-trimethyl-1H-pyridine (PubChem CID 101151039) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-hexyl-2,4,6-trimethyl-1H-pyridine.

Molecular Properties

Compound Name4-hexyl-2,4,6-trimethyl-1H-pyridine
PubChem CID101151039
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-hexyl-2,4,6-trimethyl-1H-pyridine
SMILESCCCCCCC1(C)C=C(C)NC(C)=C1
InChIInChI=1S/C14H25N/c1-5-6-7-8-9-14(4)10-12(2)15-13(3)11-14/h10-11,15H,5-9H2,1-4H3
InChIKeyUDFHNURWXUCROQ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexyl-2,4,6-trimethylthiopyran
CID 123237129
3,3,5-trimethyl-N-octadecyl-1H-pyrrol-2-imine
CID 154087421
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
5-hexyl-3,5-dimethylfuran-2-one
CID 11106283
4,7-dibromo-2,2-dihexyl-1,3-dihydrobenzimidazole
CID 142702409
2-methyl-2-octylthieno[3,4-d][1,3]dioxole
CID 141058651
azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
CID 160540589
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,4,6-trimethyl-1H-pyridine?
The IUPAC name of 4-hexyl-2,4,6-trimethyl-1H-pyridine (CID 101151039) is 4-hexyl-2,4,6-trimethyl-1H-pyridine.
What is the SMILES notation for 4-hexyl-2,4,6-trimethyl-1H-pyridine?
The canonical SMILES for 4-hexyl-2,4,6-trimethyl-1H-pyridine is CCCCCCC1(C)C=C(C)NC(C)=C1.
What is the InChIKey of 4-hexyl-2,4,6-trimethyl-1H-pyridine?
The InChIKey is UDFHNURWXUCROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-6-7-8-9-14(4)10-12(2)15-13(3)11-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-hexyl-2,4,6-trimethyl-1H-pyridine?
4-hexyl-2,4,6-trimethyl-1H-pyridine has a molecular weight of 207.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,4,6-trimethyl-1H-pyridine is sourced from PubChem (CID 101151039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).