chempirical

1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate

C11H22N2O2CAS 454451-28-6214.31 g/mol

Open in Covalent MOL file
OOHNNH
Secondary amine

Properties

Molecular formula
C11H22N2O2
Molar mass
214.31 g/mol
Exact mass
214.1681 Da
logP
1.86Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
454451-28-6
SMILES
CC(C)(C)OC(O)=NC1CCCNCC1
InChIKey
MIYUNZAWHSSBPU-UHFFFAOYSA-N
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-5-4-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14)

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

Names and synonyms

4 names
  • Carbamic acid, N-(hexahydro-1H-azepin-4-yl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (hexahydro-1H-azepin-4-yl)-, 1,1-dimethylethyl ester
  • tert-Butyl (azepan-4-yl)carbamate
  • tert-Butyl N-(azepan-4-yl)carbamate

Work with 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)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

4-(tert-Butoxycarbonylamino)piperidine73874-95-088 % similar (R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-073 % similar 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-861 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-656 % similar 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-156 % similar 1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate879275-33-955 % similar 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-655 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-553 % 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 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-7 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-1 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-9

Elsewhere

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