chempirical

1-Boc-hexahydro-1H-azepin-4-amine

C11H22N2O2CAS 196613-57-7214.31 g/mol

Open in Covalent MOL file
OONNH2
CarbamatePrimary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.73Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
196613-57-7
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)N
InChIKey
YCOKHOLOSGJEGL-UHFFFAOYSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3

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

Names and synonyms

1 names
  • tert-Butyl 4-aminoazepane-1-carboxylate

Work with 1-Boc-hexahydro-1H-azepin-4-amine

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

tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-788 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-378 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-073 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-965 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-863 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-959 % similar tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-256 % similar N-Boc-4-piperidinemethanol123855-51-656 % 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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