chempirical

3-(Diethylamino)propanamide

C7H16N2OCAS 3813-27-2144.22 g/mol

Open in Covalent MOL file
NNH2O
Tertiary amine

Properties

Molecular formula
C7H16N2O
Molar mass
144.22 g/mol
Exact mass
144.1263 Da
Boiling point
154–157 °C (at 8 Torr)
logP
1.25Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
3813-27-2
SMILES
CCN(CC)CCC(=N)O
InChIKey
KTUOJDXAHZOFCA-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3,(H2,8,10)

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Names and synonyms

3 names
  • Propanamide, 3-(diethylamino)-
  • Propionamide, 3-(diethylamino)-
  • 3-(Diethylamino)propionamide

Work with 3-(Diethylamino)propanamide

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

Butyramide541-35-550 % similar Succinamide110-14-548 % similar Pentanamide626-97-146 % similar Hexanamide628-02-446 % similar Dodecanamide1120-16-745 % similar Stearamide124-26-545 % similar Behenamide3061-75-445 % similar Hexadecanamide629-54-945 % similar

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

Same formula

4-(3-Aminopropyl)morpholine123-00-2 4-(Aminomethyl)-1-methyl-4-piperidinol26228-68-2 1-Piperazinepropanol5317-32-8 4-Methyl-1-piperazineethanol5464-12-0 (2S)-2-Amino-N,3,3-trimethylbutanamide89226-12-0

Elsewhere

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