1-tert-butyl-2-cyclopentyloxypyridin-1-ium

C14H22NO+ — CID 156626332

IUPAC1-tert-butyl-2-cyclopentyloxypyridin-1-ium
SMILESCC(C)(C)[n+]1ccccc1OC1CCCC1
InChIInChI=1S/C14H22NO/c1-14(2,3)15-11-7-6-10-13(15)16-12-8-4-5-9-12/h6-7,10-12H,4-5,8-9H2,1-3H3/q+1
InChIKeyLXYLFOUIZJUQPG-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.05
Rot. Bonds2

About 1-tert-butyl-2-cyclopentyloxypyridin-1-ium

1-tert-butyl-2-cyclopentyloxypyridin-1-ium (PubChem CID 156626332) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclopentyloxypyridin-1-ium.

Molecular Properties

Compound Name1-tert-butyl-2-cyclopentyloxypyridin-1-ium
PubChem CID156626332
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name1-tert-butyl-2-cyclopentyloxypyridin-1-ium
SMILESCC(C)(C)[n+]1ccccc1OC1CCCC1
InChIInChI=1S/C14H22NO/c1-14(2,3)15-11-7-6-10-13(15)16-12-8-4-5-9-12/h6-7,10-12H,4-5,8-9H2,1-3H3/q+1
InChIKeyLXYLFOUIZJUQPG-UHFFFAOYSA-N
XLogP3.05
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.05
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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Related Compounds

1-tert-butyl-2-cyclohexylpyridin-1-ium
CID 155615499
1,2-dicyclohexyloxybenzene
CID 67331328
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CID 10466491
9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene
CID 139845435
1-tert-butyl-2-propan-2-ylpyridin-1-ium
CID 155615445
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
2-cyclopentyloxy-N-methylaniline
CID 130903637
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
4-cyclohexyloxy-1-methylpyridin-1-ium;propane
CID 155692734
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
1,2-bis(2-cyclohexyloxy-2-methylpropyl)benzene
CID 141414067

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclopentyloxypyridin-1-ium?
The IUPAC name of 1-tert-butyl-2-cyclopentyloxypyridin-1-ium (CID 156626332) is 1-tert-butyl-2-cyclopentyloxypyridin-1-ium.
What is the SMILES notation for 1-tert-butyl-2-cyclopentyloxypyridin-1-ium?
The canonical SMILES for 1-tert-butyl-2-cyclopentyloxypyridin-1-ium is CC(C)(C)[n+]1ccccc1OC1CCCC1.
What is the InChIKey of 1-tert-butyl-2-cyclopentyloxypyridin-1-ium?
The InChIKey is LXYLFOUIZJUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO/c1-14(2,3)15-11-7-6-10-13(15)16-12-8-4-5-9-12/h6-7,10-12H,4-5,8-9H2,1-3H3/q+1.
What are the key properties of 1-tert-butyl-2-cyclopentyloxypyridin-1-ium?
1-tert-butyl-2-cyclopentyloxypyridin-1-ium has a molecular weight of 220.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclopentyloxypyridin-1-ium is sourced from PubChem (CID 156626332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).