1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

C10H18N2O2CAS 1041026-70-3198.27 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C10H18N2O2
Molar mass
198.27 g/mol
Exact mass
198.1368 Da
logP
0.83Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1041026-70-3
SMILES
CC(C)(C)OC(=O)N1CC2(CNC2)C1
InChIKey
KVOUHLVOTMOJBS-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h11H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 1,1-dimethylethyl ester
  • 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester
  • tert-Butyl2,6-diazaspiro[3.3]heptan-2-carboxylate
  • tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate
  • 2-Boc-2,6-diazaspiro(3.3)heptane

Work with 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-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

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 2,6-Diazaspiro(3.3)heptane-2-carboxylate Hemioxalate1041026-71-4Salt

Similar compounds

tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate885270-84-876 % similar tert-Butyl 2,6-diazaspiro(3.4)octane-6-carboxylate885270-86-076 % similar 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane236406-55-671 % similar tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-771 % similar 2,7-Diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester236406-49-866 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-965 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-565 % similar tert-Butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate1363381-22-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-5 tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-2 tert-Butyl (3-aminobicyclo[1.1.1]pent-1-yl)carbamate1638767-25-5 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester198989-07-0 1-Butyl-3-methylimidazolium acetate284049-75-8 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-6

Elsewhere

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