chempirical

(3S)-(-)-3-(Methylamino)pyrrolidine

C5H12N2CAS 139015-32-0100.17 g/mol

Open in Covalent MOL file
HNNH
Secondary amine

Properties

Molecular formula
C5H12N2
Molar mass
100.17 g/mol
Exact mass
100.1000 Da
logP
-0.43Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
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
139015-32-0
SMILES
CN[C@H]1CCNC1
InChIKey
NGZYRKGJWYJGRS-YFKPBYRVSA-N
InChI
InChI=1S/C5H12N2/c1-6-5-2-3-7-4-5/h5-7H,2-4H2,1H3/t5-/m0/s1

Weigh it out

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

Work with (3S)-(-)-3-(Methylamino)pyrrolidine

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.

(3R)-N-Methyl-3-pyrrolidinamine139015-33-1Enantiomer 3-(Methylamino)pyrrolidine83030-08-4Stereo not defined

Similar compounds

N-Methyl-4-piperidinamine45584-07-470 % similar 3-(Methylamino)piperidine dihydrochloride127294-77-364 % similar N-Methylpiperidin-4-amine dihydrochloride1220039-56-461 % similar (3S)-N-Ethyl-3-pyrrolidinamine381670-31-152 % similar (3R)-(+)-3-Acetamidopyrrolidine131900-62-445 % similar 3-Acetamidopyrrolidine79286-74-145 % similar Methylcyclohexylamine100-60-743 % similar trans-4-(Methylamino)cyclohexanol22348-44-338 % similar

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

Same formula

Methylpiperazine109-01-3 2-Methylpiperazine109-07-9 (3R)-Piperidin-3-amine127294-73-9 4-Piperidinamine13035-19-3 1-Aminopiperidine2213-43-6 1,4-Diazacycloheptane505-66-8 3-Aminopiperidine54012-73-6

Elsewhere

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