4-(4-ethyl-2,3,5-trimethylhexyl)pyridine

C16H27N — CID 173352468

IUPAC4-(4-ethyl-2,3,5-trimethylhexyl)pyridine
SMILESCCC(C(C)C)C(C)C(C)Cc1ccncc1
InChIInChI=1S/C16H27N/c1-6-16(12(2)3)14(5)13(4)11-15-7-9-17-10-8-15/h7-10,12-14,16H,6,11H2,1-5H3
InChIKeyJCEAJWLFLIMIDV-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.58
Rot. Bonds6

About 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine

4-(4-ethyl-2,3,5-trimethylhexyl)pyridine (PubChem CID 173352468) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine.

Molecular Properties

Compound Name4-(4-ethyl-2,3,5-trimethylhexyl)pyridine
PubChem CID173352468
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(4-ethyl-2,3,5-trimethylhexyl)pyridine
SMILESCCC(C(C)C)C(C)C(C)Cc1ccncc1
InChIInChI=1S/C16H27N/c1-6-16(12(2)3)14(5)13(4)11-15-7-9-17-10-8-15/h7-10,12-14,16H,6,11H2,1-5H3
InChIKeyJCEAJWLFLIMIDV-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
(2S)-1-pyridin-4-ylpropan-2-ol
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4-(2-chloro-3-methylhexyl)pyridine
CID 66459985
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
(3-methyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105199657
N-ethyl-3-methyl-1-pyridin-4-ylheptan-2-amine
CID 114246475
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 28669868
4-(2-methylbut-3-ynyl)pyridine
CID 83929898
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
3,3-dimethyl-2-(pyridin-4-ylmethyl)butanoic acid
CID 83136840

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine?
The IUPAC name of 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine (CID 173352468) is 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine.
What is the SMILES notation for 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine?
The canonical SMILES for 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine is CCC(C(C)C)C(C)C(C)Cc1ccncc1.
What is the InChIKey of 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine?
The InChIKey is JCEAJWLFLIMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(12(2)3)14(5)13(4)11-15-7-9-17-10-8-15/h7-10,12-14,16H,6,11H2,1-5H3.
What are the key properties of 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine?
4-(4-ethyl-2,3,5-trimethylhexyl)pyridine has a molecular weight of 233.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,3,5-trimethylhexyl)pyridine is sourced from PubChem (CID 173352468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).