tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C₁₄H₂₆N₂O₂CAS 173405-78-2254.37 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₄H₂₆N₂O₂
Molar mass: 254.37 g/mol
Exact mass: 254.1994 Da
logP: 2.39Crippen 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 3 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

173405-78-2

SMILES

CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1

InChIKey

YLKHACHFJMCIRE-UHFFFAOYSA-N

InChI

InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3

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

Names and synonyms

1 names

3,9-Diaza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester

Work with tert-Butyl 3,9-diazaspiro[5.5]undecane-3-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

2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-683 % similar tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate336191-17-483 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-674 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-774 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-874 % similar tert-Butyl piperazine-1-carboxylate57260-71-673 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-968 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-468 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-8

Elsewhere

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