chempirical

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

C12H22N2O2CAS 896464-16-7226.32 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C12H22N2O2
Molar mass
226.32 g/mol
Exact mass
226.1681 Da
logP
1.61Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 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
896464-16-7
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIKey
NRADOPGBTAJXKB-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3

Weigh it out

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Work with tert-Butyl 2,7-diazaspiro[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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-9Salt

Similar compounds

tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-082 % similar 2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester236406-39-680 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-876 % similar tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate173405-78-274 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-371 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-869 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-267 % similar tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate336191-17-466 % similar

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

Same formula

exo-3-Boc-aminotropane132234-68-5 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-6 rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-3 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-8 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-6 N-Boc-exo-3-aminotropane744183-20-8

Elsewhere

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