tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate

C13H24N2O2 — CID 22135552

IUPACtert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15(4)11-7-9-5-6-10(8-11)14-9/h9-11,14H,5-8H2,1-4H3
InChIKeyVOBUDGXVBPWVIV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate

tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate (PubChem CID 22135552) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
PubChem CID22135552
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15(4)11-7-9-5-6-10(8-11)14-9/h9-11,14H,5-8H2,1-4H3
InChIKeyVOBUDGXVBPWVIV-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate (CID 22135552) is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
The InChIKey is VOBUDGXVBPWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15(4)11-7-9-5-6-10(8-11)14-9/h9-11,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate is sourced from PubChem (CID 22135552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).