1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate

C₁₀H₂₂N₂O₂CAS 144222-23-1202.30 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₂₂N₂O₂
Molar mass: 202.30 g/mol
Exact mass: 202.1681 Da
logP: 1.59Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

144222-23-1

SMILES

CN(CCCCN)C(=O)OC(C)(C)C

InChIKey

CIZQQISFIQZTDF-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3

Weigh it out

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

Names and synonyms

3 names

Carbamic acid, N-(4-aminobutyl)-N-methyl-, 1,1-dimethylethyl ester
Carbamic acid, (4-aminobutyl)methyl-, 1,1-dimethylethyl ester
tert-Butyl N-(4-aminobutyl)-N-(methyl)carbamate

Work with 1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate

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

N-Boc-N-methylethylenediamine121492-06-679 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar N-Boc-(methylamino)acetaldehyde123387-72-453 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-650 % similar 3-(N-Boc-methylaminomethyl)azetidine1053655-53-048 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-048 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-648 % similar

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

Same formula

N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-3

Elsewhere

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