tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate

C₁₄H₂₆N₂O₂CAS 1023595-19-8254.37 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

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1023595-19-8

SMILES

CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1

InChIKey

QDWTYWWOUAIWGI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate

Work with tert-Butyl 2,9-diazaspiro(5.5)undecane-9-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 ester236406-39-684 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-776 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-871 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-970 % similar tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-068 % similar tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-863 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-063 % similar tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate336191-17-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-2

Elsewhere

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