chempirical

(6S)-1,4-Diazabicyclo(4.3.0)nonane

C7H14N2CAS 93643-24-4126.20 g/mol

Open in Covalent MOL file
NHN
Secondary amineTertiary amine

Properties

Molecular formula
C7H14N2
Molar mass
126.20 g/mol
Exact mass
126.1157 Da
logP
0.05Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
Sin 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
93643-24-4
SMILES
C1C[C@H]2CNCCN2C1
InChIKey
FTTATHOUSOIFOQ-ZETCQYMHSA-N
InChI
InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m0/s1

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Names and synonyms

1 names
  • (S)-1,4-Diazabicyclo[4.3.0]nonane

Work with (6S)-1,4-Diazabicyclo(4.3.0)nonane

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

1-Cyclopentylpiperazine21043-40-361 % similar 1-Cyclohexylpiperazine17766-28-858 % similar 1-Cycloheptylpiperazine21043-42-558 % similar 1-Cyclooctylpiperazine21043-43-658 % similar 4-(Pyrrolidin-3-yl)morpholine53617-37-154 % similar 4-(1-Pyrrolidinyl)piperidine5004-07-952 % similar 1,4′-Bipiperidine4897-50-150 % similar 3-(Dimethylamino)piperidine50534-49-146 % 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 (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

Elsewhere

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