1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate

C12H22N2O2CAS 132234-69-6226.32 g/mol

Open in Covalent MOL file
OONHNH
Secondary amine

Properties

Molecular formula
C12H22N2O2
Molar mass
226.32 g/mol
Exact mass
226.1681 Da
logP
2.00Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
r, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
132234-69-6
SMILES
CC(C)(C)OC(O)=N[C@H]1C[C@H]2CC[C@@H](C1)N2
InChIKey
UUHPKKKRSZBQIG-MYJAWHEDNA-N
InChI
InChI=1/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+

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Names and synonyms

4 names
  • Carbamic acid, N-(3-endo)-8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester
  • Carbamic acid, 8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester, endo-
  • Carbamic acid, (3-endo)-8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester
  • tert-Butyl N-[(3-endo)-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Work with 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

exo-3-Boc-aminotropane132234-68-5Stereoisomer

Similar compounds

4-(N-Boc-amino)piperidine73874-95-062 % similar 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-461 % similar (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-059 % similar 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-859 % similar 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-156 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-656 % similar (R)-(+)-2-(BOC-Amino)-1,4-butanediol397246-14-955 % similar 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-3 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-8 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-6 N-Boc-exo-3-aminotropane744183-20-8 tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7

Elsewhere

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