3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

C₁₀H₁₈N₂O₂CAS 869494-16-6198.27 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₂
Molar mass: 198.27 g/mol
Exact mass: 198.1368 Da
logP: 0.97Crippen estimate
Polar surface area: 41.6 Å²
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

869494-16-6

SMILES

CC(C)(C)OC(=O)N1C2CC1CNC2

InChIKey

OUFBVDKNEWUFHP-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7/h7-8,11H,4-6H2,1-3H3

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Names and synonyms

1 names

tert-Butyl 3,6-diazabicyclo(3.1.1)heptane-6-carboxylate

Work with 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

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

tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-881 % similar tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate180975-66-068 % similar 3-Boc-3-methylaminoazatidine577777-20-968 % similar tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-959 % similar rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-359 % similar N-Boc-exo-3-aminotropane744183-20-859 % similar tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-658 % similar N-Boc-nortropinone185099-67-658 % similar

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

Same formula

1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-3 (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-5 tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-2 tert-Butyl (3-aminobicyclo[1.1.1]pent-1-yl)carbamate1638767-25-5 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester198989-07-0 1-Butyl-3-methylimidazolium acetate284049-75-8

Elsewhere

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