1-(dipentylamino)anthracene-9,10-dione

C24H29NO2 — CID 70291028

IUPAC1-(dipentylamino)anthracene-9,10-dione
SMILESCCCCCN(CCCCC)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H29NO2/c1-3-5-9-16-25(17-10-6-4-2)21-15-11-14-20-22(21)24(27)19-13-8-7-12-18(19)23(20)26/h7-8,11-15H,3-6,9-10,16-17H2,1-2H3
InChIKeyXEEUATXJARSLDQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.65
Rot. Bonds9

About 1-(dipentylamino)anthracene-9,10-dione

1-(dipentylamino)anthracene-9,10-dione (PubChem CID 70291028) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(dipentylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(dipentylamino)anthracene-9,10-dione
PubChem CID70291028
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-(dipentylamino)anthracene-9,10-dione
SMILESCCCCCN(CCCCC)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H29NO2/c1-3-5-9-16-25(17-10-6-4-2)21-15-11-14-20-22(21)24(27)19-13-8-7-12-18(19)23(20)26/h7-8,11-15H,3-6,9-10,16-17H2,1-2H3
InChIKeyXEEUATXJARSLDQ-UHFFFAOYSA-N
XLogP5.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dipentylamino)anthracene-9,10-dione?
The IUPAC name of 1-(dipentylamino)anthracene-9,10-dione (CID 70291028) is 1-(dipentylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-(dipentylamino)anthracene-9,10-dione?
The canonical SMILES for 1-(dipentylamino)anthracene-9,10-dione is CCCCCN(CCCCC)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(dipentylamino)anthracene-9,10-dione?
The InChIKey is XEEUATXJARSLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-3-5-9-16-25(17-10-6-4-2)21-15-11-14-20-22(21)24(27)19-13-8-7-12-18(19)23(20)26/h7-8,11-15H,3-6,9-10,16-17H2,1-2H3.
What are the key properties of 1-(dipentylamino)anthracene-9,10-dione?
1-(dipentylamino)anthracene-9,10-dione has a molecular weight of 363.50 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipentylamino)anthracene-9,10-dione is sourced from PubChem (CID 70291028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).