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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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-(N-Boc-amino)piperidine73874-95-088 % similar (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-073 % similar 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-861 % similar 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-157 % 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

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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