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

C12H22N2O2 — CID 53338922

IUPACtert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C2CCC1CNC2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-4-5-9(10)7-13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyHHYUNZXSGVNMOY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.51
Rot. Bonds1

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

tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate (PubChem CID 53338922) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate
PubChem CID53338922
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C2CCC1CNC2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-4-5-9(10)7-13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyHHYUNZXSGVNMOY-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate?
The IUPAC name of tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate (CID 53338922) is tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate is CC(C)(C)OC(=O)NC1C2CCC1CNC2.
What is the InChIKey of tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate?
The InChIKey is HHYUNZXSGVNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-4-5-9(10)7-13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate?
tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate is sourced from PubChem (CID 53338922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).