1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate

C10H18N2O2 — CID 10559879

IUPAC1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CC2CCN1CC2
InChIInChI=1S/C10H18N2O2/c1-2-11-10(13)14-9-7-8-3-5-12(9)6-4-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyQWFMQJLMUKCKBI-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds2

About 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate

1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate (PubChem CID 10559879) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate
PubChem CID10559879
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC1CC2CCN1CC2
InChIInChI=1S/C10H18N2O2/c1-2-11-10(13)14-9-7-8-3-5-12(9)6-4-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyQWFMQJLMUKCKBI-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl N-ethylcarbamate
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cyclohexyl N-ethylcarbamate
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1-azabicyclo[2.2.2]octan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
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(3-methyl-2-oxoimidazolidin-4-yl) N-ethylcarbamate
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azetidin-3-yl N-ethylcarbamate
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(1,2,2,3-tetramethylpiperidin-4-yl) N-ethylcarbamate
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[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate
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2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
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bis(ethylcarbamoyloxymethyl)boranylmethyl N-ethylcarbamate
CID 59950979

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate (CID 10559879) is 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate is CCNC(=O)OC1CC2CCN1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate?
The InChIKey is QWFMQJLMUKCKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-11-10(13)14-9-7-8-3-5-12(9)6-4-8/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate?
1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate has a molecular weight of 198.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate is sourced from PubChem (CID 10559879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).