Benzonitrile, 3-[(pentylamino)methyl]-
Basic information
- CAS
90390-01-5- Standard SMILES
CCCCCNCc1cccc(C#N)c1- InChIKey
GQJSKTVYAFBAQS-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- Benzonitrile, 3-[(pentylamino)methyl]-
- IUPAC
- 3-[(pentylamino)methyl]benzonitrile
Names & synonyms
90390-01-5Benzonitrile, 3-((pentylamino)methyl)-DTXSID10238130Benzonitrile, 3-[(pentylamino)methyl]-RefChem:118518DTXCID301606213-[(pentylamino)methyl]benzonitrile3-((Pentylamino)methyl)benzonitrileCHEMBL1178167SCHEMBL11922712AKOS000231846CS-0305491
Show more names
EN300-16275990389-67-6
Database identifiers
- CAS
90390-01-5- PubChem CID
- 457599
- DTXSID
DTXSID10238130- ChEMBL
CHEMBL1178167
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
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Compound notes
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