3-(N-Boc-methylaminomethyl)azetidine

C₁₀H₂₀N₂O₂CAS 1053655-53-0200.28 g/mol

Open in Covalent MOL file

Carbamate Secondary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

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

tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-658 % similar cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-158 % similar 3-Boc-3-methylaminoazatidine577777-20-958 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-855 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-655 % similar tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate180975-66-054 % similar N-Boc-(methylamino)acetaldehyde123387-72-453 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-453 % 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-Boc-3-aminopiperidine144243-24-3 (S)-4-N-Boc-2-methylpiperazine147081-29-6

Elsewhere

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