(2S)-2-Methylpyrrolidine

C₅H₁₁NCAS 59335-84-185.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vapor97.8% of notifiers
H302 Harmful if swallowed95.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 46 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

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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