1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol

C20H24N4O2 — CID 91567633

IUPAC1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol
SMILESC=c1ccc(=C)c2c(O)c3c(NCCN)ccc(NCCN)c3c(O)c12
InChIInChI=1S/C20H24N4O2/c1-11-3-4-12(2)16-15(11)19(25)17-13(23-9-7-21)5-6-14(24-10-8-22)18(17)20(16)26/h3-6,23-26H,1-2,7-10,21-22H2
InChIKeyOXTCKFNIFWCXGO-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.97
Rot. Bonds6

About 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol

1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol (PubChem CID 91567633) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol.

Molecular Properties

Compound Name1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol
PubChem CID91567633
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol
SMILESC=c1ccc(=C)c2c(O)c3c(NCCN)ccc(NCCN)c3c(O)c12
InChIInChI=1S/C20H24N4O2/c1-11-3-4-12(2)16-15(11)19(25)17-13(23-9-7-21)5-6-14(24-10-8-22)18(17)20(16)26/h3-6,23-26H,1-2,7-10,21-22H2
InChIKeyOXTCKFNIFWCXGO-UHFFFAOYSA-N
XLogP0.97
TPSA116.56 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 50.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol?
The IUPAC name of 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol (CID 91567633) is 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol.
What is the SMILES notation for 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol?
The canonical SMILES for 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol is C=c1ccc(=C)c2c(O)c3c(NCCN)ccc(NCCN)c3c(O)c12.
What is the InChIKey of 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol?
The InChIKey is OXTCKFNIFWCXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-11-3-4-12(2)16-15(11)19(25)17-13(23-9-7-21)5-6-14(24-10-8-22)18(17)20(16)26/h3-6,23-26H,1-2,7-10,21-22H2.
What are the key properties of 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol?
1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol has a molecular weight of 352.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-aminoethylamino)-5,8-dimethylideneanthracene-9,10-diol is sourced from PubChem (CID 91567633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).