6-Morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylhexanenitrile
Basic information
- CAS
27602-09-1- Standard SMILES
CC(C)C(C#N)(CCCCN1CCOCC1)c1cccc2ccccc12- InChIKey
VRRRVULWXKRBDR-UHFFFAOYSA-N- Molecular formula
- C23H30N2O
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.23581359
Names & identifiers
- Preferred name
- 6-Morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylhexanenitrile
- IUPAC
- 6-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylhexanenitrile
Names & synonyms
27602-09-1NSC1713666-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylhexanenitrileDTXSID70305655NSC-1713666-(morpholin-4-yl)-2-(naphthalen-1-yl)-2-(propan-2-yl)hexanenitrile
Database identifiers
- CAS
27602-09-1- PubChem CID
- 298975
- DTXSID
DTXSID70305655
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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