1-tert-butyl-2-cyclohexylpyridin-1-ium

C15H24N+ — CID 155615499

IUPAC1-tert-butyl-2-cyclohexylpyridin-1-ium
SMILESCC(C)(C)[n+]1ccccc1C1CCCCC1
InChIInChI=1S/C15H24N/c1-15(2,3)16-12-8-7-11-14(16)13-9-5-4-6-10-13/h7-8,11-13H,4-6,9-10H2,1-3H3/q+1
InChIKeySYMJWDLIWIUJQI-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.78
Rot. Bonds1

About 1-tert-butyl-2-cyclohexylpyridin-1-ium

1-tert-butyl-2-cyclohexylpyridin-1-ium (PubChem CID 155615499) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclohexylpyridin-1-ium.

Molecular Properties

Compound Name1-tert-butyl-2-cyclohexylpyridin-1-ium
PubChem CID155615499
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Name1-tert-butyl-2-cyclohexylpyridin-1-ium
SMILESCC(C)(C)[n+]1ccccc1C1CCCCC1
InChIInChI=1S/C15H24N/c1-15(2,3)16-12-8-7-11-14(16)13-9-5-4-6-10-13/h7-8,11-13H,4-6,9-10H2,1-3H3/q+1
InChIKeySYMJWDLIWIUJQI-UHFFFAOYSA-N
XLogP3.78
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2-cyclohexylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclooctyl-1-oxidopyridin-1-ium
CID 134861148
1-tert-butyl-2-cyclopentyloxypyridin-1-ium
CID 156626332
2-cyclobutyl-1-oxidopyridin-1-ium
CID 134861229
1-tert-butyl-3-cyclohexylquinolin-1-ium
CID 155615482
tert-butylbenzene;cyclohexylbenzene
CID 158089404
1-tert-butyl-2-propan-2-ylpyridin-1-ium
CID 155615445
2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
CID 22643834
CID 159076923
CID 159076923
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
1-(1-tert-butylpyridin-1-ium-2-yl)azepine
CID 155615491
CID 66989831
CID 66989831
2-(2-cyclohexylphenyl)-2-methylpropan-1-ol
CID 117336927

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclohexylpyridin-1-ium?
The IUPAC name of 1-tert-butyl-2-cyclohexylpyridin-1-ium (CID 155615499) is 1-tert-butyl-2-cyclohexylpyridin-1-ium.
What is the SMILES notation for 1-tert-butyl-2-cyclohexylpyridin-1-ium?
The canonical SMILES for 1-tert-butyl-2-cyclohexylpyridin-1-ium is CC(C)(C)[n+]1ccccc1C1CCCCC1.
What is the InChIKey of 1-tert-butyl-2-cyclohexylpyridin-1-ium?
The InChIKey is SYMJWDLIWIUJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-15(2,3)16-12-8-7-11-14(16)13-9-5-4-6-10-13/h7-8,11-13H,4-6,9-10H2,1-3H3/q+1.
What are the key properties of 1-tert-butyl-2-cyclohexylpyridin-1-ium?
1-tert-butyl-2-cyclohexylpyridin-1-ium has a molecular weight of 218.36 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclohexylpyridin-1-ium is sourced from PubChem (CID 155615499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).