(S)-N-((1-Benzylpyrrolidin-2-yl)methyl)cyclopropanamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
1354009-68-9- Standard SMILES
c1ccc(CN2CCC[C@H]2CNC2CC2)cc1- InChIKey
CDWNMFBKHYTWNM-HNNXBMFYSA-N- Molecular formula
- C15H22N2
- Average molar mass
- 230.35 g/mol
- Monoisotopic mass
- 230.17829871
Names & identifiers
- Preferred name
- (S)-N-((1-Benzylpyrrolidin-2-yl)methyl)cyclopropanamine
- IUPAC
- N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]cyclopropanamine
- English name
- Benzyl-cyclopropyl-(S)-1-pyrrolidin-2-ylMethyl-aMine
- Molecular formula
- C15H22N2
- Molecular weight
- 230.35
Names & synonyms
1353996-25-4(S)-N-((1-Benzylpyrrolidin-2-yl)methyl)cyclopropanamine((S)-1-Benzyl-pyrrolidin-2-ylmethyl)-cyclopropyl-amineN-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]cyclopropanamineDB-246498Benzyl-cyclopropyl-(S)-1-pyrrolidin-2-ylMethyl-aMineN-benzyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanamine2-Pyrrolidinemethanamine, N-cyclopropyl-N-(phenylmethyl)-, (2S)-
Database identifiers
- CAS
1354009-68-9- PubChem CID
- 66569269
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 340.8 · 340.8±15.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 10.42 · 10.42±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…