endo-3-Aminotropane

C₈H₁₆N₂CAS 87571-88-8140.23 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₆N₂
Molar mass: 140.23 g/mol
Exact mass: 140.1313 Da
logP: 0.57Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: R, 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

87571-88-8

SMILES

CN1[C@@H]2CC[C@H]1CC(C2)N

InChIKey

HJGMRAKQWLKWMH-IEESLHIDSA-N

InChI

InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6?,7-,8+

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Names and synonyms

1 names

endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

Work with endo-3-Aminotropane

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

endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride135906-03-572 % similar Tropine120-29-658 % similar Pseudotropine135-97-758 % similar Methyldicyclohexylamine7560-83-042 % similar 3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (3-exo)-76272-36-139 % similar Tropinone532-24-139 % similar rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-339 % similar N-Boc-exo-3-aminotropane744183-20-839 % similar

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

Elsewhere

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