2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine

C14H17N — CID 163498607

IUPAC2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine
SMILESCCC1(C)C=C(c2ccccn2)C=CC1
InChIInChI=1S/C14H17N/c1-3-14(2)9-6-7-12(11-14)13-8-4-5-10-15-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyCSVCOULFHVVPSW-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.84
Rot. Bonds2

About 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine

2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine (PubChem CID 163498607) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine.

Molecular Properties

Compound Name2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine
PubChem CID163498607
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine
SMILESCCC1(C)C=C(c2ccccn2)C=CC1
InChIInChI=1S/C14H17N/c1-3-14(2)9-6-7-12(11-14)13-8-4-5-10-15-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyCSVCOULFHVVPSW-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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cobalt;ethane;tris(2-pyridin-2-ylpyridine)
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2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine
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CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
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2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine?
The IUPAC name of 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine (CID 163498607) is 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine.
What is the SMILES notation for 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine?
The canonical SMILES for 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine is CCC1(C)C=C(c2ccccn2)C=CC1.
What is the InChIKey of 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine?
The InChIKey is CSVCOULFHVVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-14(2)9-6-7-12(11-14)13-8-4-5-10-15-13/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine?
2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine has a molecular weight of 199.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine is sourced from PubChem (CID 163498607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).