chempirical

(4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine

C7H14N2CAS 151213-42-2126.20 g/mol

Open in Covalent MOL file
NHNH
Secondary amine

Properties

Molecular formula
C7H14N2
Molar mass
126.20 g/mol
Exact mass
126.1157 Da
logP
-0.04Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
R, Rin SMILES atom order

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
151213-42-2
SMILES
C1CN[C@H]2CNC[C@H]2C1
InChIKey
KSCPLKVBWDOSAI-RQJHMYQMSA-N
InChI
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aR,7aR)-
  • 1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aR-cis)-
  • [(4aR,7aR)-Octahydro-6H-pyrrolo[3,4-b]pyridine
  • (1R,6R)-2,8-Diazabicyclo[4.3.0]nonane
  • (4aS,7aS)-Octahydro-6H-Pyrrolo[3,4-b]pyridine
  • (4aR,7aR)-Octahydro-1H-pyrrolo(3,4-b)pyridine

Work with (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine

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.

(4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0Enantiomer

Similar compounds

Decahydroquinoline2051-28-754 % similar Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-150 % similar Octahydroisoindole21850-12-450 % similar Octahydrocyclopenta[c]pyrrole hydrochloride112626-50-344 % similar Decahydroisoquinoline6329-61-942 % similar 2,2′-Bipiperidyl531-67-942 % similar 2-(Trifluoromethyl)pyrrolidine119618-29-034 % similar (2S)-2-(Diphenylmethyl)pyrrolidine119237-64-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 1-Allylpiperazine13961-36-9 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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