chempirical

2-Methylpyrrolidine

C5H11NCAS 765-38-885.15 g/mol

Open in Covalent MOL file
HN
Secondary amine

Properties

Molecular formula
C5H11N
Molar mass
85.15 g/mol
Exact mass
85.0891 Da
Density
0.8307 g/mL (at 20 °C)
Boiling point
100 °C (at 768 Torr)
logP
0.76Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
765-38-8
SMILES
CC1CCCN1
InChIKey
RGHPCLZJAFCTIK-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Pyrrolidine, 2-methyl-
  • Pyrrolidine, 2-methyl-, (±)-
  • α-Methylpyrrolidine
  • (±)-2-Methylpyrrolidine

Work with 2-Methylpyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R)-2-Methylpyrrolidine41720-98-3Defined stereoisomer (2S)-2-Methylpyrrolidine59335-84-1Defined stereoisomer (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-5Salt, defined stereoisomer (S)-2-Methylpyrrolidine hydrochloride174500-74-4Salt, defined stereoisomer 2-Methylpyrrolidine hydrochloride54677-53-1Salt

Similar compounds

2-Methylpiperidine109-05-783 % similar (S)-(+)-2-Methylpiperidine3197-42-083 % similar 5-Methyl-[1,4]diazepane22777-05-555 % similar 2,6-Dimethylpiperidine504-03-050 % similar Rel-(2R,6S)-2,6-Dimethylpiperidine766-17-650 % similar 2,4-Dimethylpiperidine6287-19-046 % similar 2-Methylpiperazine109-07-943 % similar (S)-(+)-2-Methylpiperazine74879-18-843 % similar

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

Same formula

Cyclopentylamine1003-03-8 Piperidine110-89-4 1-Methylpyrrolidine120-94-5 N,N-Dimethylallylamine2155-94-4 Cyclobutanemethanamine4415-83-2

Elsewhere

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