chempirical

Cis tert-Butyl 4-aminocyclohexylcarbamate

C11H22N2O2CAS 247570-24-7214.31 g/mol

Open in Covalent MOL file
OOHNNH2
CarbamatePrimary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.78Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
247570-24-7
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)N
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)

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

Names and synonyms

1 names
  • 1-N-Boc-cis-1,4-cyclohexyldiamine

Work with Cis tert-Butyl 4-aminocyclohexylcarbamate

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.

1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-1 Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-8

Similar compounds

tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-882 % similar Boc-trans-4-aminocyclohexanol111300-06-267 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-667 % similar 4-N-Boc-amino-cyclohexanol224309-64-267 % similar exo-3-Boc-aminotropane132234-68-564 % similar tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-464 % similar rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-663 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-463 % 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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