tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

C₁₃H₂₄N₂O₂CAS 336191-17-4240.35 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₃H₂₄N₂O₂
Molar mass: 240.35 g/mol
Exact mass: 240.1838 Da
logP: 2.00Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

336191-17-4

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCNCC2

InChIKey

NFNCPNAVNRBDOU-UHFFFAOYSA-N

InChI

InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3

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Names and synonyms

1 names

2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester

Work with tert-Butyl 2,8-diazaspiro[4.5]decane-2-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

2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-884 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-283 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-680 % similar tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-076 % similar tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-871 % similar tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-667 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-766 % similar tert-Butyl piperazine-1-carboxylate57260-71-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-8 2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-6

Elsewhere

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