chempirical

3-(Dimethylamino)pyrrolidine

C6H14N2CAS 69478-75-7114.19 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
69478-75-7
SMILES
CN(C)C1CCNC1
InChIKey
AVAWMINJNRAQFS-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3

Weigh it out

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

Work with 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.

(3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6Defined stereoisomer (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4Defined stereoisomer (S)-3-Dimethylaminopyrrolidine 2hcl144043-20-9Salt, defined stereoisomer

Similar compounds

3-(Dimethylamino)piperidine50534-49-174 % similar 4-(Dimethylamino)piperidine50533-97-671 % 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

Elsewhere

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