chempirical

1-Boc-3-methylaminoazetidine

C9H18N2O2CAS 454703-20-9186.25 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
454703-20-9
SMILES
CC(C)(C)OC(=O)N1CC(C1)NC
InChIKey
CHRBSEYIEDTNSC-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7,10H,5-6H2,1-4H3

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Names and synonyms

1 names
  • tert-Butyl 3-(methylamino)azetidine-1-carboxylate

Work with 1-Boc-3-methylaminoazetidine

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

1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-277 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-977 % similar 1-Boc-3-methylaminopyrrolidine454712-26-677 % similar (R)-1-N-Boc-3-methylaminopiperidine203941-94-073 % similar tert-Butyl 3-(methylamino)piperidine-1-carboxylate392331-89-473 % similar 1-Boc-4-methylaminopiperidine147539-41-171 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-071 % similar 7-Boc-3-oxa-7,9-diazabicyclo[3.3.1]nonane864448-41-967 % similar

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

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-0 (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 Dimorpholinomethane5625-90-1 N-Boc-piperazine57260-71-6

Elsewhere

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