5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole

C7H14N2CAS 132414-59-6126.20 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C7H14N2
Molar mass
126.20 g/mol
Exact mass
126.1157 Da
logP
-0.09Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
132414-59-6
SMILES
CN1CC2CCNC2C1
InChIKey
DLUDAUJQMXTXGQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2/c1-9-4-6-2-3-8-7(6)5-9/h6-8H,2-5H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 5-Methyl-octahydropyrrolo(3,4-b)pyrrole

Work with 5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole

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

Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine128740-14-732 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-230 % similar Decahydroquinoline2051-28-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Allylpiperazine13961-36-9 (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0 (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-7 1,4-Diazobicylco[3.2.2]nonane283-38-5 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6 N,N′-Diisopropylcarbodiimide693-13-0

Elsewhere

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