6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium

C15H20N+ — CID 166028844

IUPAC6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium
SMILESCC1=CCC[N+](C)=C1c1cc(C)ccc1C
InChIInChI=1S/C15H20N/c1-11-7-8-12(2)14(10-11)15-13(3)6-5-9-16(15)4/h6-8,10H,5,9H2,1-4H3/q+1
InChIKeyNRAURJBIDAYBEJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.08
Rot. Bonds1

About 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium

6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium (PubChem CID 166028844) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium
PubChem CID166028844
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Name6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium
SMILESCC1=CCC[N+](C)=C1c1cc(C)ccc1C
InChIInChI=1S/C15H20N/c1-11-7-8-12(2)14(10-11)15-13(3)6-5-9-16(15)4/h6-8,10H,5,9H2,1-4H3/q+1
InChIKeyNRAURJBIDAYBEJ-UHFFFAOYSA-N
XLogP3.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium?
The IUPAC name of 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium (CID 166028844) is 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium?
The canonical SMILES for 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium is CC1=CCC[N+](C)=C1c1cc(C)ccc1C.
What is the InChIKey of 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium?
The InChIKey is NRAURJBIDAYBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N/c1-11-7-8-12(2)14(10-11)15-13(3)6-5-9-16(15)4/h6-8,10H,5,9H2,1-4H3/q+1.
What are the key properties of 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium?
6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium has a molecular weight of 214.33 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-1,5-dimethyl-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 166028844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).