chempirical

1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate

C11H22N2O2CAS 195314-59-1214.31 g/mol

Open in Covalent MOL file
OOHNNH2
Primary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.99Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
195314-59-1
SMILES
CC(C)(C)OC(O)=NC1CCC(N)CC1
InChIKey
FEYLUKDSKVSMSZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)

Weigh it out

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

Names and synonyms

6 names
  • Carbamic acid, (4-aminocyclohexyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, N-(4-aminocyclohexyl)-, 1,1-dimethylethyl ester
  • tert-Butyl 4-aminocyclohexylcarbamate
  • (4-Aminocyclohexyl)carbamic acid tert-butyl ester
  • tert-Butyl N-(4-aminocyclohexyl)carbamate
  • N-tert-Butoxycarbonylcis-1,4-cyclohexanediamine

Work with 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate

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

1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-165 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-064 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-562 % similar trans-4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid53292-89-062 % similar cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid53292-90-362 % similar 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-861 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-657 % similar (R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-056 % similar

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

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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