tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride

C12H23ClN2O2 — CID 126791140

IUPACtert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC2CCC1NC2.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H
InChIKeyGRVADUPGAADKKC-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride

tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride (PubChem CID 126791140) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
PubChem CID126791140
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC2CCC1NC2.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H
InChIKeyGRVADUPGAADKKC-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
CID 154704474
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate
CID 74787550
tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
CID 154725996
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride (CID 126791140) is tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CC2CCC1NC2.Cl.
What is the InChIKey of tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride?
The InChIKey is GRVADUPGAADKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H.
What are the key properties of tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride?
tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride is sourced from PubChem (CID 126791140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).