chempirical

1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

C11H20N2O2CAS 201162-53-0212.29 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C11H20N2O2
Molar mass
212.29 g/mol
Exact mass
212.1525 Da
logP
1.36Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
201162-53-0
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)N2
InChIKey
PSDAEKDIOQXLLC-UHFFFAOYSA-N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8/h8-9,12H,4-7H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 1,1-dimethylethyl ester
  • tert-Butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
  • 3-Boc-3,8-Diazabicyclo[3.2.1]octane

Work with 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Boc-3-oxa-7,9-diazabicyclo[3.3.1]nonane864448-41-976 % similar 1-Boc-3-methylaminoazetidine454703-20-971 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-263 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-963 % similar 1-Boc-3-methylaminopyrrolidine454712-26-663 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-262 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-060 % similar 1-N-Boc-3-hydroxyazetidine141699-55-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4 (S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate127199-45-5 tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-1 cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1 Brivaracetam357336-20-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook