chempirical

(2S)-2-Methylpyrrolidine

C5H11NCAS 59335-84-185.15 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
logP
0.76Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59335-84-1
SMILES
C[C@H]1CCCN1
InChIKey
RGHPCLZJAFCTIK-YFKPBYRVSA-N
InChI
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (S)-2-Methyl-pyrrolidine

Work with (2S)-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-Methylpyrrolidine41720-98-3Enantiomer 2-Methylpyrrolidine765-38-8Stereo not defined (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-5Salt, enantiomer (S)-2-Methylpyrrolidine hydrochloride174500-74-4Salt 2-Methylpyrrolidine hydrochloride54677-53-1Salt, stereo not defined

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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