chempirical

3-(N-Boc-methylaminomethyl)azetidine

C10H20N2O2CAS 1053655-53-0200.28 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.07Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1053655-53-0
SMILES
CC(C)(C)OC(=O)N(C)CC1CNC1
InChIKey
IIRJNOLNCXOXOR-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)7-8-5-11-6-8/h8,11H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

1 names
  • tert-Butyl azetidin-3-ylmethyl(methyl)carbamate

Work with 3-(N-Boc-methylaminomethyl)azetidine

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

Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-658 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-855 % similar N-Boc-(methylamino)acetaldehyde123387-72-453 % similar N-Boc-N-methylethylenediamine121492-06-651 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-250 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-650 % similar 4-N-Boc-4-N-methyl-aminopiperidine108612-54-049 % similar 1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate144222-23-148 % similar

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

Same formula

tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-2 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook