3-(Methylamino)pyrrolidine

C5H12N2CAS 83030-08-4100.17 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

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
83030-08-4
SMILES
CNC1CCNC1
InChIKey
NGZYRKGJWYJGRS-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2/c1-6-5-2-3-7-4-5/h5-7H,2-4H2,1H3

Weigh it out

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

Work with 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-pyrrolidinamine139015-33-1Defined stereoisomer (3S)-(-)-3-(Methylamino)pyrrolidine139015-32-0Defined stereoisomer

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook