Basic information
- CAS
918872-02-3- Standard SMILES
NCC#CCC(N)C(=O)NCCc1ccccc1- InChIKey
NRUPVSGBQHKOBB-UHFFFAOYSA-N- Molecular formula
- C14H19N3O
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.15281224
Names & identifiers
- Preferred name
- 2,6-Diamino-N-(2-phenylethyl)hex-4-ynamide
- IUPAC
- 2,6-diamino-N-(2-phenylethyl)hex-4-ynamide
Names & synonyms
2,6-DIAMINO-N-(2-PHENYLETHYL)HEX-4-YNAMIDE918872-02-3CHEMBL3935880DTXSID40581000BDBM185656US9161922, Table 3, Compound 1
Database identifiers
- CAS
918872-02-3- PubChem CID
- 16005268
- DTXSID
DTXSID40581000- ChEMBL
CHEMBL3935880
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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