Basic information
- Standard SMILES
CNCCCC(C#N)(c1cc(OC)cc(OC)c1)C(C)C- InChIKey
DFLRQCFHHLPXHJ-UHFFFAOYSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Dimethoxyphenyl)-2-isopropyl-5-methylaminovaleronitrile
- IUPAC
- 2-(3,5-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile
Names & synonyms
SCHEMBL7272299DFLRQCFHHLPXHJ-UHFFFAOYSA-N2-(3,5-dimethoxyphenyl)-2-isopropyl-5-methylaminovaleronitrile5-methylamino-2-(3,5-dimethoxyphenyl)-2-isopropylvaleronitrile
Database identifiers
- PubChem CID
- 22158477
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
4 records
Compound notes
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