Basic information
- CAS
1421609-32-6- Standard SMILES
O=C1C=C(NCC2CCCCC2)C(=O)c2ccccc21- InChIKey
APKLSLPCCKQFQY-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- 1,4-Naphthoquinone, 2-(cyclohexylmethylamino)-
- IUPAC
- 2-(cyclohexylmethylamino)naphthalene-1,4-dione
Names & synonyms
1,4-NAPHTHOQUINONE, 2-(CYCLOHEXYLMETHYLAMINO)-RefChem:1053338ND8UUH89MGUNII-ND8UUH89MG2-((Cyclohexylmethyl)amino)-1,4-naphthalenedione1,4-Naphthalenedione, 2-((cyclohexylmethyl)amino)-2-((Cyclohexylmethyl)amino)-1,4-dihydronaphthalene-1,4-dione1421609-32-6NSC 222691BRN 2375997CHEMBL2334459SCHEMBL15689627
Show more names
APKLSLPCCKQFQY-UHFFFAOYSA-N2-((cyclohexylmethyl)amino)naphthalene-1,4-dione
Database identifiers
- CAS
1421609-32-6、23913-60-2- PubChem CID
- 32141
- ChEMBL
CHEMBL2334459- UNII
- ND8UUH89MG
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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