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

C10H22N2O2CAS 144222-23-1202.30 g/mol

Open in Covalent MOL file
NNH2OO
CarbamatePrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

4 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
  • N-(4-Aminobutyl)-N-methyl carbamic acid tert-butyl ester

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

tert-Butyl N-(3-aminopropyl)-N-methylcarbamate150349-36-391 % similar N-Boc-N-methylethylenediamine121492-06-679 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-461 % similar (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-459 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-954 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-853 % similar N-Boc-(methylamino)acetaldehyde123387-72-453 % similar 4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook