1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium

C13H22N+ — CID 69390119

IUPAC1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium
SMILESCC[n+]1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C13H22N/c1-6-14-8-12(10(2)3)7-13(9-14)11(4)5/h7-11H,6H2,1-5H3/q+1
InChIKeyWNYPNYRUTTZIGT-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.24
Rot. Bonds3

About 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium

1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium (PubChem CID 69390119) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium
PubChem CID69390119
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium
SMILESCC[n+]1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C13H22N/c1-6-14-8-12(10(2)3)7-13(9-14)11(4)5/h7-11H,6H2,1-5H3/q+1
InChIKeyWNYPNYRUTTZIGT-UHFFFAOYSA-N
XLogP3.24
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.24
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 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium?
The IUPAC name of 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium (CID 69390119) is 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium?
The canonical SMILES for 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium is CC[n+]1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium?
The InChIKey is WNYPNYRUTTZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-6-14-8-12(10(2)3)7-13(9-14)11(4)5/h7-11H,6H2,1-5H3/q+1.
What are the key properties of 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium?
1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium has a molecular weight of 192.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium is sourced from PubChem (CID 69390119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).