tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate

C14H25NO2 — CID 141044538

IUPACtert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1C2CCCC1CC2
InChIInChI=1S/C14H25NO2/c1-14(2,3)17-13(16)15(4)12-10-6-5-7-11(12)9-8-10/h10-12H,5-9H2,1-4H3
InChIKeyULWNAOGNJSBBIR-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.43
Rot. Bonds1

About tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate

tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate (PubChem CID 141044538) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate
PubChem CID141044538
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1C2CCCC1CC2
InChIInChI=1S/C14H25NO2/c1-14(2,3)17-13(16)15(4)12-10-6-5-7-11(12)9-8-10/h10-12H,5-9H2,1-4H3
InChIKeyULWNAOGNJSBBIR-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
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methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate (CID 141044538) is tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1C2CCCC1CC2.
What is the InChIKey of tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate?
The InChIKey is ULWNAOGNJSBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)17-13(16)15(4)12-10-6-5-7-11(12)9-8-10/h10-12H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate?
tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate has a molecular weight of 239.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate is sourced from PubChem (CID 141044538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).