1-(3-methylpentan-3-yl)pyridin-1-ium

C11H18N+ — CID 176778062

IUPAC1-(3-methylpentan-3-yl)pyridin-1-ium
SMILESCCC(C)(CC)[n+]1ccccc1
InChIInChI=1S/C11H18N/c1-4-11(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/q+1
InChIKeyMSEQRXHDWURKSI-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.51
Rot. Bonds3

About 1-(3-methylpentan-3-yl)pyridin-1-ium

1-(3-methylpentan-3-yl)pyridin-1-ium (PubChem CID 176778062) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-(3-methylpentan-3-yl)pyridin-1-ium
PubChem CID176778062
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name1-(3-methylpentan-3-yl)pyridin-1-ium
SMILESCCC(C)(CC)[n+]1ccccc1
InChIInChI=1S/C11H18N/c1-4-11(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/q+1
InChIKeyMSEQRXHDWURKSI-UHFFFAOYSA-N
XLogP2.51
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.51
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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Related Compounds

1-(19-tetradecylheptatriacontan-19-yl)pyridin-1-ium
CID 69396951
octakis(1-(1-bromo-3-chloro-2-methylpropan-2-yl)pyridin-1-ium);tetrakis(dioxidoboranylformonitrile)
CID 173100472
1-(1,1-dimethoxybutyl)pyridin-1-ium iodide
CID 174775829
1-[4-(2-methylbutan-2-yl)phenyl]pyridin-1-ium
CID 59872471
tris(1-ethylpyridin-1-ium);trichloride
CID 175102745
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
benzene;propane
CID 91272297
benzene;propane
CID 22402732
bis(1-ethylpyridin-1-ium);bromide;chloride
CID 70621329
1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate
CID 19887704
CID 161096473
CID 161096473
1-octadec-1-enylpyridin-1-ium chloride
CID 67784202

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yl)pyridin-1-ium?
The IUPAC name of 1-(3-methylpentan-3-yl)pyridin-1-ium (CID 176778062) is 1-(3-methylpentan-3-yl)pyridin-1-ium.
What is the SMILES notation for 1-(3-methylpentan-3-yl)pyridin-1-ium?
The canonical SMILES for 1-(3-methylpentan-3-yl)pyridin-1-ium is CCC(C)(CC)[n+]1ccccc1.
What is the InChIKey of 1-(3-methylpentan-3-yl)pyridin-1-ium?
The InChIKey is MSEQRXHDWURKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-4-11(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/q+1.
What are the key properties of 1-(3-methylpentan-3-yl)pyridin-1-ium?
1-(3-methylpentan-3-yl)pyridin-1-ium has a molecular weight of 164.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yl)pyridin-1-ium is sourced from PubChem (CID 176778062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).