6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane

C14H23N2+ — CID 176556891

IUPAC6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane
SMILESCC.C[N+]1(C)CC=CC=C1C1=CC=CCN1
InChIInChI=1S/C12H17N2.C2H6/c1-14(2)10-6-4-8-12(14)11-7-3-5-9-13-11;1-2/h3-8,13H,9-10H2,1-2H3;1-2H3/q+1;
InChIKeyNGHWWILCSPKISB-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.59
Rot. Bonds1

About 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane

6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane (PubChem CID 176556891) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane.

Molecular Properties

Compound Name6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane
PubChem CID176556891
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane
SMILESCC.C[N+]1(C)CC=CC=C1C1=CC=CCN1
InChIInChI=1S/C12H17N2.C2H6/c1-14(2)10-6-4-8-12(14)11-7-3-5-9-13-11;1-2/h3-8,13H,9-10H2,1-2H3;1-2H3/q+1;
InChIKeyNGHWWILCSPKISB-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane?
The IUPAC name of 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane (CID 176556891) is 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane.
What is the SMILES notation for 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane?
The canonical SMILES for 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane is CC.C[N+]1(C)CC=CC=C1C1=CC=CCN1.
What is the InChIKey of 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane?
The InChIKey is NGHWWILCSPKISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2.C2H6/c1-14(2)10-6-4-8-12(14)11-7-3-5-9-13-11;1-2/h3-8,13H,9-10H2,1-2H3;1-2H3/q+1;.
What are the key properties of 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane?
6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane has a molecular weight of 219.35 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane is sourced from PubChem (CID 176556891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).