tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate

C₁₀H₂₀N₂O₂CAS 1049730-81-5200.28 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

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1049730-81-5

SMILES

CC(C)(C)OC(=O)N1CC(C1)CNC

InChIKey

LNDGYTKISRFVOI-UHFFFAOYSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3

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Names and synonyms

1 names

tert-Butyl 3-[(methylamino)methyl]azetidine-1-carboxylate

Work with tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate

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-carboxylate141449-85-662 % similar 1-Boc-azetidine-3-ylmethanol142253-56-362 % similar cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-162 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-862 % similar 1-Boc-3-methylaminoazetidine454703-20-962 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-059 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-258 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-058 % 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 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 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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