2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine

C15H23N — CID 91334885

IUPAC2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine
SMILESCCC1C=C(C2C=CCC=N2)CC(C)C1C
InChIInChI=1S/C15H23N/c1-4-13-10-14(9-11(2)12(13)3)15-7-5-6-8-16-15/h5,7-8,10-13,15H,4,6,9H2,1-3H3
InChIKeyUDIMQRJNCVFVGO-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.01
Rot. Bonds2

About 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine

2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine (PubChem CID 91334885) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine
PubChem CID91334885
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine
SMILESCCC1C=C(C2C=CCC=N2)CC(C)C1C
InChIInChI=1S/C15H23N/c1-4-13-10-14(9-11(2)12(13)3)15-7-5-6-8-16-15/h5,7-8,10-13,15H,4,6,9H2,1-3H3
InChIKeyUDIMQRJNCVFVGO-UHFFFAOYSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014503
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
2-Cycloheptyl-2,5-dihydropyridine
CID 54266406
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
2,11-Di(hexan-3-yl)-1-azacyclododeca-4,8,12-triene
CID 56981493
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine?
The IUPAC name of 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine (CID 91334885) is 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine.
What is the SMILES notation for 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine?
The canonical SMILES for 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine is CCC1C=C(C2C=CCC=N2)CC(C)C1C.
What is the InChIKey of 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine?
The InChIKey is UDIMQRJNCVFVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-13-10-14(9-11(2)12(13)3)15-7-5-6-8-16-15/h5,7-8,10-13,15H,4,6,9H2,1-3H3.
What are the key properties of 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine?
2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine has a molecular weight of 217.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine is sourced from PubChem (CID 91334885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).