1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-
Basic information
- CAS
6699-12-3- Standard SMILES
CC(C)C(C#N)(CCCN1CCCC1)c1cccc2ccccc12- InChIKey
SVZYYHKYXSDMQX-UHFFFAOYSA-N- Molecular formula
- C22H28N2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.2252489
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-
- IUPAC
- 2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ylpentanenitrile
- English name
- α-(1-Methylethyl)-α-(1-naphthalenyl)-1-pyrrolidinepentanenitrile
- Molecular formula
- C22H28N2
- Molecular weight
- 320.47112
Names & synonyms
6699-12-31-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-PYRROLIDINOPROPYL)-RefChem:10559641-Pyrrolidinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-DTXSID50985797alpha-Isopropyl-alpha-(3-pyrrolidinopropyl)-1-naphthaleneacetonitrile2-(Naphthalen-1-yl)-2-(propan-2-yl)-5-(pyrrolidin-1-yl)pentanenitrileα-(1-Methylethyl)-α-(1-naphthalenyl)-1-pyrrolidinepentanenitrile
Database identifiers
- CAS
6699-12-3- PubChem CID
- 23160
- DTXSID
DTXSID50985797- Nikkaji
- J42.417J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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