5-(Dimethylamino)-2-(naphthalen-1-yl)pentanenitrile
Basic information
- CAS
3399-37-9- Standard SMILES
CN(C)CCCC(C#N)c1cccc2ccccc12- InChIKey
QSYYJLRWHFBKKE-UHFFFAOYSA-N- Molecular formula
- C17H20N2
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.16264865
Names & identifiers
- Preferred name
- 5-(Dimethylamino)-2-(naphthalen-1-yl)pentanenitrile
- IUPAC
- 5-(dimethylamino)-2-naphthalen-1-ylpentanenitrile
- English name
- α-[3-(Dimethylamino)propyl]-1-naphthaleneacetonitrile
- Molecular formula
- C17H20N2
- Molecular weight
- 252.3541
Names & synonyms
3399-37-9DTXSID709555735-(dimethylamino)-2-(naphthalen-1-yl)pentanenitrileRefChem:1072530DTXCID501383563BRN 21255441-NAPHTHALENEACETONITRILE, alpha-(3-(DIMETHYLAMINO)PROPYL)-alpha-(3-(Dimethylamino)propyl)-1-naphthyleneacetonitrileα-[3-(Dimethylamino)propyl]-1-naphthaleneacetonitrile
Database identifiers
- CAS
3399-37-9- PubChem CID
- 18837
- DTXSID
DTXSID70955573- Nikkaji
- J42.407B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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