exo-3-Boc-aminotropane

C₁₂H₂₂N₂O₂CAS 132234-68-5226.32 g/mol

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Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₂₂N₂O₂
Molar mass: 226.32 g/mol
Exact mass: 226.1681 Da
logP: 1.79Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

132234-68-5

SMILES

CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2

InChIKey

UUHPKKKRSZBQIG-ULKQDVFKSA-N

InChI

InChI=1S/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

1 names

exo-3-(Boc-amino)-8-azabicyclo[3.2.1]octane

Work with exo-3-Boc-aminotropane

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 N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-865 % similar Boc-trans-4-aminocyclohexanol111300-06-264 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-261 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-959 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-156 % similar Boc-D-leucinol106930-51-255 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-654 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-053 % similar

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

Same formula

1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-6

Elsewhere

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