tert-Butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate

C₁₄H₂₂N₂O₂CAS 203662-66-2250.34 g/mol

Open in Covalent MOL file

Carbamate Nitrile

Properties

Molecular formula: C₁₄H₂₂N₂O₂
Molar mass: 250.34 g/mol
Exact mass: 250.1681 Da
logP: 2.94Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 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

203662-66-2

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C#N

InChIKey

RHQBJRGRDIJKGP-UHFFFAOYSA-N

InChI

InChI=1S/C14H22N2O2/c1-13(2,3)18-12(17)16-6-4-14(5-7-16)8-11(9-14)10-15/h11H,4-9H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

2-Cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester

Work with tert-Butyl 2-cyano-7-azaspiro[3.5]nonane-7-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

1-Boc-3-cyanoazetidine142253-54-165 % similar (R)-1-Boc-3-cyanopyrrolidine132945-76-763 % similar (S)-1-Boc-3-cyanopyrrolidine132945-78-963 % similar 1-Boc-3-cyanopyrrolidine476493-40-063 % similar tert-Butyl 4-cyano-4-methylpiperidine-1-carboxylate530115-96-962 % similar 7-Boc-7-azaspiro[3.5]nonane-2-methanol1356476-27-161 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-060 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-859 % similar

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

Same formula

Rivastigmine123441-03-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook