ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane

C14H25N2+ — CID 91509327

IUPACethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane
SMILESCC.CCC.CCc1ccc2[n+](c1)=CCN=2
InChIInChI=1S/C9H11N2.C3H8.C2H6/c1-2-8-3-4-9-10-5-6-11(9)7-8;1-3-2;1-2/h3-4,6-7H,2,5H2,1H3;3H2,1-2H3;1-2H3/q+1;;
InChIKeyPJPXIAILFNCGMU-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.62
Rot. Bonds1

About ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane

ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane (PubChem CID 91509327) has the molecular formula C14H25N2+ and a molecular weight of 221.37 g/mol. Its IUPAC name is ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane.

Molecular Properties

Compound Nameethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane
PubChem CID91509327
Molecular FormulaC14H25N2+
Molecular Weight221.37 g/mol
Exact Mass221.20
IUPAC Nameethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane
SMILESCC.CCC.CCc1ccc2[n+](c1)=CCN=2
InChIInChI=1S/C9H11N2.C3H8.C2H6/c1-2-8-3-4-9-10-5-6-11(9)7-8;1-3-2;1-2/h3-4,6-7H,2,5H2,1H3;3H2,1-2H3;1-2H3/q+1;;
InChIKeyPJPXIAILFNCGMU-UHFFFAOYSA-N
XLogP2.62
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane?
The IUPAC name of ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane (CID 91509327) is ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane.
What is the SMILES notation for ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane?
The canonical SMILES for ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane is CC.CCC.CCc1ccc2[n+](c1)=CCN=2.
What is the InChIKey of ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane?
The InChIKey is PJPXIAILFNCGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2.C3H8.C2H6/c1-2-8-3-4-9-10-5-6-11(9)7-8;1-3-2;1-2/h3-4,6-7H,2,5H2,1H3;3H2,1-2H3;1-2H3/q+1;;.
What are the key properties of ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane?
ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane has a molecular weight of 221.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane is sourced from PubChem (CID 91509327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).