3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine

C17H23N — CID 167114095

IUPAC3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCC1=CC(C(C)(C)C)=CC(C)C1c1cccnc1
InChIInChI=1S/C17H23N/c1-12-9-15(17(3,4)5)10-13(2)16(12)14-7-6-8-18-11-14/h6-12,16H,1-5H3
InChIKeyPROYSYLFTPSLEZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.73
Rot. Bonds1

About 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine

3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine (PubChem CID 167114095) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine.

Molecular Properties

Compound Name3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine
PubChem CID167114095
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCC1=CC(C(C)(C)C)=CC(C)C1c1cccnc1
InChIInChI=1S/C17H23N/c1-12-9-15(17(3,4)5)10-13(2)16(12)14-7-6-8-18-11-14/h6-12,16H,1-5H3
InChIKeyPROYSYLFTPSLEZ-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 166648131
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-[(1R,2R,5R,6S,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]pyridine
CID 928921
3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
CID 3110823
3-[(2S,3S)-3-methyl-2,3-dihydrofuran-2-yl]pyridine
CID 11105660
2-tert-butyl-3-pyridin-3-yloxaziridine
CID 10797418
3-(2-methylcyclobutyl)pyridine
CID 174716389
(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
CID 125481336
N-tert-butyl-2-pyridin-3-ylcyclopropan-1-amine
CID 167361066
(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 59135096
3-[2-(disulfanyl)propan-2-yl]pyridine
CID 152951842

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine?
The IUPAC name of 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine (CID 167114095) is 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine.
What is the SMILES notation for 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine?
The canonical SMILES for 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine is CC1=CC(C(C)(C)C)=CC(C)C1c1cccnc1.
What is the InChIKey of 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine?
The InChIKey is PROYSYLFTPSLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12-9-15(17(3,4)5)10-13(2)16(12)14-7-6-8-18-11-14/h6-12,16H,1-5H3.
What are the key properties of 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine?
3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine has a molecular weight of 241.38 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine is sourced from PubChem (CID 167114095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).