(3R)-(+)-3-(Dimethylamino)pyrrolidine

C₆H₁₄N₂CAS 132958-72-6114.19 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
logP: -0.09Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed85.4% of notifiers
H314 Causes severe skin burns and eye damage16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H318 Causes serious eye damage87.5% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

132958-72-6

SMILES

CN(C)[C@@H]1CCNC1

InChIKey

AVAWMINJNRAQFS-ZCFIWIBFSA-N

InChI

InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1

Weigh it out

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

Work with (3R)-(+)-3-(Dimethylamino)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.

(3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4Enantiomer 3-(Dimethylamino)pyrrolidine69478-75-7Stereo not defined (S)-3-Dimethylaminopyrrolidine 2hcl144043-20-9Salt, enantiomer

Similar compounds

3-(Dimethylamino)piperidine50534-49-174 % similar N,N-Dimethylpiperidin-4-amine50533-97-671 % similar 4-(Dimethylamino)piperidine dihydrochloride4876-59-963 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-154 % similar 4-(Pyrrolidin-3-yl)morpholine53617-37-145 % similar 3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine172478-00-142 % similar N,N-Dimethylcyclohexylamine98-94-242 % similar 1-Methyl-4-(piperidin-4-yl)piperazine53617-36-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 2-Ethylpiperazine13961-37-0 cis-1,2-Cyclohexanediamine1436-59-5

Elsewhere

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