2,5-Bis(cyclopentylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
70960-86-0- Standard SMILES
COC1=C(NC2CCCC2)C(=O)C(C)=C(NC2CCCC2)C1=O- InChIKey
IVNRTIFUVLBKAW-UHFFFAOYSA-N- Molecular formula
- C18H26N2O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1943427
Names & identifiers
- Preferred name
- 2,5-Bis(cyclopentylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(cyclopentylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
70960-86-0NSC2508222,5-bis(cyclopentylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dioneDTXSID20312152NSC-250822
Database identifiers
- CAS
70960-86-0- PubChem CID
- 317653
- DTXSID
DTXSID20312152
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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