chempirical

2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane

C13H24N2O2CAS 147611-03-8240.35 g/mol

Open in Covalent MOL file
OOHNNH
Secondary amine

Properties

Molecular formula
C13H24N2O2
Molar mass
240.35 g/mol
Exact mass
240.1838 Da
logP
2.25Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
147611-03-8
SMILES
CC(C)(C)OC(O)=NC1CC2(CCNCC2)C1
InChIKey
UXSKWUIJYPVHKK-UHFFFAOYSA-N
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10-8-13(9-10)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16)

Weigh it out

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

Names and synonyms

5 names
  • Carbamic acid, N-7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester
  • Carbamic acid, 7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester
  • 7-Azaspiro[3.5]nonane, carbamic acid deriv.
  • tert-Butyl (7-azaspiro[3.5]nonan-2-yl)carbamate
  • (7-Azaspiro[3.5]non-2-yl)carbamic acid tert-butyl ester

Work with 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane

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

4-(tert-Butoxycarbonylamino)piperidine73874-95-068 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-661 % similar (R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-060 % similar 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-755 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-652 % similar (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane127199-45-550 % similar 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-150 % similar 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-849 % similar

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

Elsewhere

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