chempirical

3-Boc-3-methylaminoazatidine

C9H18N2O2CAS 577777-20-9186.25 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C9H18N2O2
Molar mass
186.25 g/mol
Exact mass
186.1368 Da
logP
0.83Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
577777-20-9
SMILES
CC(C)(C)OC(=O)N(C)C1CNC1
InChIKey
LHUFQYUQIUJJIB-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11(4)7-5-10-6-7/h7,10H,5-6H2,1-4H3

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Names and synonyms

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

Work with 3-Boc-3-methylaminoazatidine

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

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine172478-00-179 % similar 4-N-Boc-4-N-methyl-aminopiperidine108612-54-074 % similar tert-Butyl N-methyl-N-(piperidin-3-yl)carbamate172478-01-273 % similar tert-Butyl methyl((3R)-piperidin-3-yl)carbamate309962-67-273 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-868 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-668 % similar 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-562 % similar 3-(N-Boc-methylaminomethyl)azetidine1053655-53-058 % similar

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

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-0 (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-5 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-0 1-Boc-3-(aminomethyl)azetidine325775-44-8 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1

Elsewhere

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