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

C14H24N+ — CID 69388481

IUPAC3,5-di(propan-2-yl)-1-propylpyridin-1-ium
SMILESCCC[n+]1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C14H24N/c1-6-7-15-9-13(11(2)3)8-14(10-15)12(4)5/h8-12H,6-7H2,1-5H3/q+1
InChIKeyMHQFNZQCGKUXTP-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.63
Rot. Bonds4

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

3,5-di(propan-2-yl)-1-propylpyridin-1-ium (PubChem CID 69388481) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1-propylpyridin-1-ium.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1-propylpyridin-1-ium
PubChem CID69388481
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name3,5-di(propan-2-yl)-1-propylpyridin-1-ium
SMILESCCC[n+]1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C14H24N/c1-6-7-15-9-13(11(2)3)8-14(10-15)12(4)5/h8-12H,6-7H2,1-5H3/q+1
InChIKeyMHQFNZQCGKUXTP-UHFFFAOYSA-N
XLogP3.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.63
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 3,5-di(propan-2-yl)-1-propylpyridin-1-ium?
The IUPAC name of 3,5-di(propan-2-yl)-1-propylpyridin-1-ium (CID 69388481) is 3,5-di(propan-2-yl)-1-propylpyridin-1-ium.
What is the SMILES notation for 3,5-di(propan-2-yl)-1-propylpyridin-1-ium?
The canonical SMILES for 3,5-di(propan-2-yl)-1-propylpyridin-1-ium is CCC[n+]1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 3,5-di(propan-2-yl)-1-propylpyridin-1-ium?
The InChIKey is MHQFNZQCGKUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-6-7-15-9-13(11(2)3)8-14(10-15)12(4)5/h8-12H,6-7H2,1-5H3/q+1.
What are the key properties of 3,5-di(propan-2-yl)-1-propylpyridin-1-ium?
3,5-di(propan-2-yl)-1-propylpyridin-1-ium has a molecular weight of 206.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1-propylpyridin-1-ium is sourced from PubChem (CID 69388481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).