1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide

C13H27NO — CID 22995148

IUPAC1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide
SMILESCCCC[N+]1(C2CCCC2)CCCC1.[OH-]
InChIInChI=1S/C13H26N.H2O/c1-2-3-10-14(11-6-7-12-14)13-8-4-5-9-13;/h13H,2-12H2,1H3;1H2/q+1;/p-1
InChIKeyLFLSKSBEEPMXNY-UHFFFAOYSA-M
MW213.36 g/mol
LogP3.16
Rot. Bonds4

About 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide

1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide (PubChem CID 22995148) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide.

Molecular Properties

Compound Name1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide
PubChem CID22995148
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide
SMILESCCCC[N+]1(C2CCCC2)CCCC1.[OH-]
InChIInChI=1S/C13H26N.H2O/c1-2-3-10-14(11-6-7-12-14)13-8-4-5-9-13;/h13H,2-12H2,1H3;1H2/q+1;/p-1
InChIKeyLFLSKSBEEPMXNY-UHFFFAOYSA-M
XLogP3.16
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-1-cyclohexylpyrrolidin-1-ium iodide
CID 22995118
1-butyl-1-azoniabicyclo[3.1.0]hexane
CID 134838404
1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
CID 169210130
1-butyl-1,2-dimethylpiperidin-1-ium
CID 148751446
1,1-dibutyl-2-ethylpiperidin-1-ium
CID 22415969
(4aR,8aR)-1,1,4,4-tetrabutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1,4-diium dichloride
CID 131883004
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride
CID 21119340
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710
1-butyl-1-octylpyrrolidin-1-ium
CID 66835414
1-hexyl-1,2-dimethylpiperidin-1-ium
CID 160754103
1-butyl-1-pentylpiperidin-1-ium fluoride
CID 171571240

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide?
The IUPAC name of 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide (CID 22995148) is 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide.
What is the SMILES notation for 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide?
The canonical SMILES for 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide is CCCC[N+]1(C2CCCC2)CCCC1.[OH-].
What is the InChIKey of 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide?
The InChIKey is LFLSKSBEEPMXNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H26N.H2O/c1-2-3-10-14(11-6-7-12-14)13-8-4-5-9-13;/h13H,2-12H2,1H3;1H2/q+1;/p-1.
What are the key properties of 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide?
1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide has a molecular weight of 213.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide is sourced from PubChem (CID 22995148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).