tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate

C12H22N2O2 — CID 14774663

IUPACtert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?
InChIKeyUUHPKKKRSZBQIG-ULKQDVFKSA-N
MW226.32 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate

tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 14774663) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
PubChem CID14774663
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?
InChIKeyUUHPKKKRSZBQIG-ULKQDVFKSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 14774663) is tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate is CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The InChIKey is UUHPKKKRSZBQIG-ULKQDVFKSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?.
What are the key properties of tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 14774663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).