chempirical

tert-Butyl N-(azetidin-3-ylmethyl)carbamate

C9H18N2O2CAS 91188-15-7186.25 g/mol

Open in Covalent MOL file
OONHNH
CarbamateSecondary amine

Properties

Molecular formula
C9H18N2O2
Molar mass
186.25 g/mol
Exact mass
186.1368 Da
logP
0.73Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
91188-15-7
SMILES
CC(C)(C)OC(=O)NCC1CNC1
InChIKey
MOLUHRBHXXGWDP-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)

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Names and synonyms

1 names
  • 3-(N-Boc-aminomethyl)azetidine

Work with tert-Butyl N-(azetidin-3-ylmethyl)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

3-Boc-aminomethylpyrrolidine149366-79-078 % similar (S)-3-N-Boc-aminomethyl pyrrolidine173340-26-678 % similar 4-(Boc-aminomethyl)piperidine135632-53-075 % similar 3-N-Boc-aminomethylpiperidine142643-29-671 % similar tert-Butyl (4-oxocyclohexyl) methylcarbamate809273-70-966 % similar trans-4-(Boc-aminomethyl)-cyclohexanemethanamine166168-16-764 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-462 % similar 3-N-Boc-amino-azetidine91188-13-561 % 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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