2-(5,5-dimethylhexyl)pyridine

C13H21N — CID 151657269

IUPAC2-(5,5-dimethylhexyl)pyridine
SMILESCC(C)(C)CCCCc1ccccn1
InChIInChI=1S/C13H21N/c1-13(2,3)10-6-4-8-12-9-5-7-11-14-12/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyQVTUACIWULNTPJ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.84
Rot. Bonds4

About 2-(5,5-dimethylhexyl)pyridine

2-(5,5-dimethylhexyl)pyridine (PubChem CID 151657269) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(5,5-dimethylhexyl)pyridine.

Molecular Properties

Compound Name2-(5,5-dimethylhexyl)pyridine
PubChem CID151657269
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(5,5-dimethylhexyl)pyridine
SMILESCC(C)(C)CCCCc1ccccn1
InChIInChI=1S/C13H21N/c1-13(2,3)10-6-4-8-12-9-5-7-11-14-12/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyQVTUACIWULNTPJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.84
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

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(4,4-dimethylhexyl)pyridine
CID 57111041
2-undecylpyridine
CID 66882765
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
4-pyridin-2-ylbutylphosphane
CID 175102115
azanium;2-tetradecylpyridine;bromide
CID 157411341
2-(7-phenylheptyl)pyridine
CID 54510986

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylhexyl)pyridine?
The IUPAC name of 2-(5,5-dimethylhexyl)pyridine (CID 151657269) is 2-(5,5-dimethylhexyl)pyridine.
What is the SMILES notation for 2-(5,5-dimethylhexyl)pyridine?
The canonical SMILES for 2-(5,5-dimethylhexyl)pyridine is CC(C)(C)CCCCc1ccccn1.
What is the InChIKey of 2-(5,5-dimethylhexyl)pyridine?
The InChIKey is QVTUACIWULNTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13(2,3)10-6-4-8-12-9-5-7-11-14-12/h5,7,9,11H,4,6,8,10H2,1-3H3.
What are the key properties of 2-(5,5-dimethylhexyl)pyridine?
2-(5,5-dimethylhexyl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylhexyl)pyridine is sourced from PubChem (CID 151657269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).