tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C₁₁H₂₀N₂O₂CAS 149771-44-8212.29 g/mol

Open in Covalent MOL file

Carbamate Secondary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H303+H313+H333 May be harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H303 May be harmful if swallowed50% of notifiers
H313 May be harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H333 May be harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P317, P302+P352, P304+P317, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

149771-44-8

SMILES

CC(C)(C)OC(=O)N1C2CCC1CNC2

InChIKey

HNINFCBLGHCFOJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8/h8-9,12H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

7 names

3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-dimethylethyl ester
1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
8-Boc-3,8-diazabicyclo[3.2.1]octane
8-(tert-Butoxycarbonyl)-3,8-diazabicyclo[3.2.1]octane
3,8-Diaza-bicyclo[3.2.1]octan-8-carboxylic acid tert-butyl ester
8-Boc-3,8-diaza-bicyclo(3.2.1)octane

Work with tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-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

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-681 % similar tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate180975-66-068 % similar N-Boc-nortropinone185099-67-668 % similar 3-Boc-3-methylaminoazatidine577777-20-968 % similar tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-964 % similar rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-364 % similar N-Boc-exo-3-aminotropane744183-20-864 % similar 3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine172478-00-162 % 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 Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-1 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1 Brivaracetam357336-20-0

Elsewhere

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