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

C₇H₁₄N₂CAS 132414-59-6126.20 g/mol

Open in Covalent MOL file

Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

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

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 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6 N,N'-Diisopropylcarbodiimide693-13-0

Elsewhere

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