2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine

C14H17N — CID 91135167

IUPAC2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine
SMILESCC1=CCC(CCC2C=C=CC=N2)C=C1
InChIInChI=1S/C14H17N/c1-12-5-7-13(8-6-12)9-10-14-4-2-3-11-15-14/h3-7,11,13-14H,8-10H2,1H3
InChIKeyKPJKNKYITQGXGZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.45
Rot. Bonds3

About 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine

2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine (PubChem CID 91135167) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine
PubChem CID91135167
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine
SMILESCC1=CCC(CCC2C=C=CC=N2)C=C1
InChIInChI=1S/C14H17N/c1-12-5-7-13(8-6-12)9-10-14-4-2-3-11-15-14/h3-7,11,13-14H,8-10H2,1H3
InChIKeyKPJKNKYITQGXGZ-UHFFFAOYSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine
CID 123345292
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine?
The IUPAC name of 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine (CID 91135167) is 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine.
What is the SMILES notation for 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine?
The canonical SMILES for 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine is CC1=CCC(CCC2C=C=CC=N2)C=C1.
What is the InChIKey of 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine?
The InChIKey is KPJKNKYITQGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-12-5-7-13(8-6-12)9-10-14-4-2-3-11-15-14/h3-7,11,13-14H,8-10H2,1H3.
What are the key properties of 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine?
2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine has a molecular weight of 199.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridine is sourced from PubChem (CID 91135167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).