N-Boc-N-methylethylenediamine

C₈H₁₈N₂O₂CAS 121492-06-6174.24 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₈H₁₈N₂O₂
Molar mass: 174.24 g/mol
Exact mass: 174.1368 Da
logP: 0.81Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

121492-06-6

SMILES

CC(C)(C)OC(=O)N(C)CCN

InChIKey

QYJVBVKFXDHFPQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N-Boc-N-methylethylenediamine

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 N-(4-aminobutyl)-N-methylcarbamate144222-23-179 % similar N-Boc-(methylamino)acetaldehyde123387-72-457 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-654 % similar 3-(N-Boc-methylaminomethyl)azetidine1053655-53-051 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-051 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-950 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-849 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-746 % similar

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

Same formula

N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-1 1,4-Piperazinediethanol122-96-3 1-[2-(2-Hydroxyethoxy)ethyl]piperazine13349-82-1 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-3 tert-Butyl (3-aminopropyl)carbamate75178-96-0

Elsewhere

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