1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide

C13H27NO — CID 130290866

IUPAC1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide
SMILESCC[N+]1(CC2CCCCC2)CCCC1.[OH-]
InChIInChI=1S/C13H26N.H2O/c1-2-14(10-6-7-11-14)12-13-8-4-3-5-9-13;/h13H,2-12H2,1H3;1H2/q+1;/p-1
InChIKeyZQGYTBBEVKXIJP-UHFFFAOYSA-M
MW213.36 g/mol
LogP3.02
Rot. Bonds3

About 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide

1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide (PubChem CID 130290866) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide
PubChem CID130290866
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide
SMILESCC[N+]1(CC2CCCCC2)CCCC1.[OH-]
InChIInChI=1S/C13H26N.H2O/c1-2-14(10-6-7-11-14)12-13-8-4-3-5-9-13;/h13H,2-12H2,1H3;1H2/q+1;/p-1
InChIKeyZQGYTBBEVKXIJP-UHFFFAOYSA-M
XLogP3.02
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.02
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-(cyclobutylmethyl)-1-ethylazocan-1-ium
CID 22646006
1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium
CID 19020546
1,1-diethylpiperidin-1-ium;methane;iodide
CID 158053029
ethoxymethylcyclooctane
CID 70370569
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
1,1-diethylpyrrolidin-1-ium tetrafluoroborate
CID 23156701
1-ethyl-1,3-di(nonyl)piperidin-1-ium
CID 175583400
1-ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527
1-ethyl-1-propylpyrrolidin-1-ium chloride
CID 66776312
cyclohexylmethoxy(ethyl)silane
CID 172748096
1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
CID 169210130
methylsulfanylmethylcyclohexane;propane
CID 90890228

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide?
The IUPAC name of 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide (CID 130290866) is 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide?
The canonical SMILES for 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide is CC[N+]1(CC2CCCCC2)CCCC1.[OH-].
What is the InChIKey of 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide?
The InChIKey is ZQGYTBBEVKXIJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H26N.H2O/c1-2-14(10-6-7-11-14)12-13-8-4-3-5-9-13;/h13H,2-12H2,1H3;1H2/q+1;/p-1.
What are the key properties of 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide?
1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide has a molecular weight of 213.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide is sourced from PubChem (CID 130290866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).