N-[3-(Pyrrolidin-1-yl)propyl]-N'-{[4-(trifluoromethyl)phenyl]methyl}guanidine
Basic information
- CAS
785762-57-4- Standard SMILES
NC(=NCc1ccc(C(F)(F)F)cc1)NCCCN1CCCC1- InChIKey
IYZCVXCJTRFHIU-UHFFFAOYSA-N- Molecular formula
- C16H23F3N4
- Average molar mass
- 328.38 g/mol
- Monoisotopic mass
- 328.18748124
Names & identifiers
- Preferred name
- N-[3-(Pyrrolidin-1-yl)propyl]-N'-{[4-(trifluoromethyl)phenyl]methyl}guanidine
- IUPAC
- 1-(3-pyrrolidin-1-ylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
Names & synonyms
CHEMBL80547SCHEMBL8108039DTXSID401141748785762-57-4N-[3-(Pyrrolidin-1-yl)propyl]-N'-{[4-(trifluoromethyl)phenyl]methyl}guanidineNa(2)-[3-(1-Pyrrolidinyl)propyl]-N-[[4-(trifluoromethyl)phenyl]methyl]guanidine
Database identifiers
- CAS
785762-57-4- PubChem CID
- 9799197
- DTXSID
DTXSID401141748- ChEMBL
CHEMBL80547
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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