chempirical

(S)-2-Methylpyrrolidine hydrochloride

C5H12ClNCAS 174500-74-4121.61 g/mol

Open in Covalent MOL file
HNHCl
Secondary amine

Properties

Molecular formula
C5H12ClN
Molar mass
121.61 g/mol
Exact mass
121.0658 Da
logP
1.18Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
174500-74-4
SMILES
C[C@H]1CCCN1.Cl
InChIKey
JNEIFWYJFOEKIM-JEDNCBNOSA-N
InChI
InChI=1S/C5H11N.ClH/c1-5-3-2-4-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1

Weigh it out

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

Work with (S)-2-Methylpyrrolidine hydrochloride

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-Methylpyrrolidine41720-98-3Free base, enantiomer 2-Methylpyrrolidine765-38-8Free base, stereo not defined (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-5Enantiomer

Similar compounds

2-Methylpiperidine109-05-771 % similar (S)-(+)-2-Methylpiperidine3197-42-071 % similar 5-Methyl-[1,4]diazepane22777-05-548 % similar (3S)-3-Methylmorpholine hydrochloride1022094-03-646 % similar 2,6-Dimethylpiperidine504-03-043 % similar Rel-(2R,6S)-2,6-Dimethylpiperidine766-17-643 % similar (S)-3-Methylpiperidine hydrochloride155797-02-743 % similar 2-Methylpiperidin-4-one hydrochloride13729-77-642 % similar

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

Same formula

3-Chloro-N,N-dimethyl-1-propanamine109-54-6 1-Amino-1-methylcyclobutane hydrochloride174886-05-6 Cyclobutylmethylamine hydrochloride5454-82-0 Piperidinium chloride6091-44-7

Elsewhere

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