2-[2-(Dimethylamino)ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)pentanenitrile
Basic information
- CAS
27602-14-8- Standard SMILES
CCC(C)C(C#N)(CCN(C)C)Cc1cccc2ccccc12- InChIKey
IYCFOUSPIPTFJQ-UHFFFAOYSA-N- Molecular formula
- C21H28N2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.2252489
Names & identifiers
- Preferred name
- 2-[2-(Dimethylamino)ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)pentanenitrile
- IUPAC
- 2-[2-(dimethylamino)ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)pentanenitrile
Names & synonyms
NSC17137527602-14-8DTXSID10305659NSC-1713752-[2-(Dimethylamino)ethyl]-3-methyl-2-[(naphthalen-1-yl)methyl]pentanenitrile
Database identifiers
- CAS
27602-14-8- PubChem CID
- 298979
- DTXSID
DTXSID10305659
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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