Basic information
- CAS
42012-90-8- Standard SMILES
CC(C)=CCN(CC=C(C)C)CCC(C#N)c1cccc2ccccc12- InChIKey
DWMYZKMRDUDVHE-UHFFFAOYSA-N- Molecular formula
- C24H30N2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.24089897
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(2-(bis(3-methyl-2-butenyl)amino)ethyl)-
- IUPAC
- 4-[bis(3-methylbut-2-enyl)amino]-2-naphthalen-1-ylbutanenitrile
Names & synonyms
42012-90-81-Naphthaleneacetonitrile, alpha-(2-(bis(3-methyl-2-butenyl)amino)ethyl)-RefChem:10559524-[bis(3-methylbut-2-en-1-yl)amino]-2-(1-naphthyl)butanenitrileBRN 3065915NSC184743alpha-(2-(Bis(3-methyl-2-butenyl)amino)ethyl)-1-naphthaleneacetonitrileDTXSID101350457AKOS030255937NSC 184743NSC-184743
Database identifiers
- CAS
42012-90-8- PubChem CID
- 99710
- DTXSID
DTXSID101350457
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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