tert-Butyl N-(3-aminopropyl)-N-methylcarbamate

C₉H₂₀N₂O₂CAS 150349-36-3188.27 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₉H₂₀N₂O₂
Molar mass: 188.27 g/mol
Exact mass: 188.1525 Da
logP: 1.20Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

150349-36-3

SMILES

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

InChIKey

PNQYAMWGTGWJDW-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7,10H2,1-4H3

Weigh it out

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

Work with tert-Butyl N-(3-aminopropyl)-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

1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate144222-23-191 % similar N-Boc-N-methylethylenediamine121492-06-681 % similar N-Boc-(methylamino)acetaldehyde123387-72-454 % similar 4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-054 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-951 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-651 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-151 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-850 % similar

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

Same formula

Propamocarb24579-73-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook