2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide

C9H18N2OCAS 702-96-5170.26 g/mol

Open in Covalent MOL file
NH2OHN
Secondary amine

Properties

Molecular formula
C9H18N2O
Molar mass
170.26 g/mol
Exact mass
170.1419 Da
Melting point
126–129 °C
logP
1.69Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
702-96-5
SMILES
CC1(C)CC(C(=N)O)C(C)(C)N1
InChIKey
POAGFQOGFRYOFM-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12)

Weigh it out

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

Names and synonyms

5 names
  • 3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl-
  • 3-Aminocarbonyl-2,2,5,5-tetramethylpyrrolidine
  • 3-Carbamoyl-2,2,5,5-tetramethylpyrrolidine
  • 2,2,5,5-Tetramethylpyrrolidine-3-carboxamide
  • 2,2,5,5-Tetramethyl-pyrrolidine-3-carboxylic acid amide

Work with 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide

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

(+)-2,2-Dimethylcyclopropanecarboxamide75885-58-450 % similar 2,2-Dichlorocyclopropanecarboxamide75885-60-841 % similar 4-Hydroxy-2,2,6,6-tetramethylpiperidine2403-88-536 % similar Cyclohexanecarboxamide1122-56-132 % similar 4-Amino-2,2,6,6-tetramethylpiperidine36768-62-432 % similar 3-Piperidinecarboxamide4138-26-532 % similar Isobutyramide563-83-731 % similar Cyclopropanecarboxamide6228-73-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[3-(Dimethylamino)propyl]methacrylamide5205-93-6 4-(Piperidin-4-yl)morpholine53617-35-9 1-(Tetrahydro-2-furylmethyl)piperazine82500-35-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook