2,2-Dimethyl-piperazine

C₆H₁₄N₂CAS 84477-72-5114.19 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
logP: -0.04Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

H411 Toxic to aquatic life with long lasting effects95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

84477-72-5

SMILES

CC1(CNCCN1)C

InChIKey

PIPWSBOFSUJCCO-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c1-6(2)5-7-3-4-8-6/h7-8H,3-5H2,1-2H3

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Names and synonyms

1 names

2,2-Dimethylpiperazine

Work with 2,2-Dimethyl-piperazine

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

Similar compounds

2,2-Dimethylpyrrolidine35018-15-643 % similar 2,2-Dimethylpyrrolidine hydrochloride623580-01-838 % similar N,N′-Di-tert-butylethylenediamine4062-60-638 % similar 3,3-Dimethylpiperidine1193-12-035 % similar 3-(tert-Octylamino)propionitrile86375-28-231 % similar 4,4-Dimethyloxazolidine51200-87-431 % 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 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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