tert-Butyl 4,7-diazaspiro(2.5)octane-4-carboxylate

C₁₁H₂₀N₂O₂CAS 674792-08-6212.29 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₁H₂₀N₂O₂
Molar mass: 212.29 g/mol
Exact mass: 212.1525 Da
logP: 1.36Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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

674792-08-6

SMILES

CC(C)(C)OC(=O)N1CCNCC12CC2

InChIKey

XNLYPHAMXHERHS-UHFFFAOYSA-N

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13)4-5-11/h12H,4-8H2,1-3H3

Weigh it out

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Names and synonyms

1 names

4,7-Diaza-spiro[2.5]octane-4-carboxylic acid tert-butyl ester

Work with tert-Butyl 4,7-diazaspiro(2.5)octane-4-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

tert-Butyl piperazine-1-carboxylate57260-71-657 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-055 % similar 2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-655 % similar tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-852 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-852 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-852 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-751 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4 (S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate127199-45-5 tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-1 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1

Elsewhere

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