1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium

C21H30Cl2N4O2Pt+2 — CID 44826255

IUPAC1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium
SMILESCl[Pt+2]Cl.NCCCNc1cccc2c1C(=O)c1ccccc1C2=O.[CH2-]C[NH3+].[CH2-]C[NH3+]
InChIInChI=1S/C17H16N2O2.2C2H6N.2ClH.Pt/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20;2*1-2-3;;;/h1-3,5-8,19H,4,9-10,18H2;2*1-3H2;2*1H;/q;2*-1;;;+4
InChIKeyXXELWZDBRMJGEN-UHFFFAOYSA-N
MW636.48 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium

1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium (PubChem CID 44826255) has the molecular formula C21H30Cl2N4O2Pt+2 and a molecular weight of 636.48 g/mol. Its IUPAC name is 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium.

Molecular Properties

Compound Name1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium
PubChem CID44826255
Molecular FormulaC21H30Cl2N4O2Pt+2
Molecular Weight636.48 g/mol
Exact Mass635.14
IUPAC Name1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium
SMILESCl[Pt+2]Cl.NCCCNc1cccc2c1C(=O)c1ccccc1C2=O.[CH2-]C[NH3+].[CH2-]C[NH3+]
InChIInChI=1S/C17H16N2O2.2C2H6N.2ClH.Pt/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20;2*1-2-3;;;/h1-3,5-8,19H,4,9-10,18H2;2*1-3H2;2*1H;/q;2*-1;;;+4
InChIKeyXXELWZDBRMJGEN-UHFFFAOYSA-N
XLogP1.72
TPSA127.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.48
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
CID 3076422
1-(3-aminopropylamino)-2-chloroanthracene-9,10-dione
CID 140996904
1-[[3-(4-aminobutylamino)-2-hydroxypropyl]amino]anthracene-9,10-dione
CID 71475397
1-chloro-5-(pentylamino)anthracene-9,10-dione
CID 70610528
1-[3-[3-[3-[3-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]imidazolidin-1-yl]propyl]imidazolidin-1-yl]propylamino]anthracene-9,10-dione
CID 20579889
3-[[9,10-dioxo-5-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006737
6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
2-(4-aminobutylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 90644039
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
1-[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione
CID 3142375
3-[[9,10-dioxo-8-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006734
2-azaniumylethyl-[2-[(9,10-dioxoanthracen-1-yl)amino]ethyl]-methyl-[2-(methylamino)ethyl]azanium
CID 145157529

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium?
The IUPAC name of 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium (CID 44826255) is 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium.
What is the SMILES notation for 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium?
The canonical SMILES for 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium is Cl[Pt+2]Cl.NCCCNc1cccc2c1C(=O)c1ccccc1C2=O.[CH2-]C[NH3+].[CH2-]C[NH3+].
What is the InChIKey of 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium?
The InChIKey is XXELWZDBRMJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.2C2H6N.2ClH.Pt/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20;2*1-2-3;;;/h1-3,5-8,19H,4,9-10,18H2;2*1-3H2;2*1H;/q;2*-1;;;+4.
What are the key properties of 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium?
1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium has a molecular weight of 636.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)anthracene-9,10-dione;dichloroplatinum(2+);ethylazanium is sourced from PubChem (CID 44826255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).