zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione

C12H23N5O3Zn — CID 6455538

IUPACzinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione
SMILESO=C1C=CC(=O)O1.[NH-]CCNCCNCCNCC[NH-].[Zn+2]
InChIInChI=1S/C8H21N5.C4H2O3.Zn/c9-1-3-11-5-7-13-8-6-12-4-2-10;5-3-1-2-4(6)7-3;/h9-13H,1-8H2;1-2H;/q-2;;+2
InChIKeyIBOHVXCRKLYQAZ-UHFFFAOYSA-N
MW350.74 g/mol
LogP-0.52
Rot. Bonds10

About zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione

zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione (PubChem CID 6455538) has the molecular formula C12H23N5O3Zn and a molecular weight of 350.74 g/mol. Its IUPAC name is zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione.

Molecular Properties

Compound Namezinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione
PubChem CID6455538
Molecular FormulaC12H23N5O3Zn
Molecular Weight350.74 g/mol
Exact Mass349.11
IUPAC Namezinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione
SMILESO=C1C=CC(=O)O1.[NH-]CCNCCNCCNCC[NH-].[Zn+2]
InChIInChI=1S/C8H21N5.C4H2O3.Zn/c9-1-3-11-5-7-13-8-6-12-4-2-10;5-3-1-2-4(6)7-3;/h9-13H,1-8H2;1-2H;/q-2;;+2
InChIKeyIBOHVXCRKLYQAZ-UHFFFAOYSA-N
XLogP-0.52
TPSA127.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.74
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-ethylethanamine;furan-2,5-dione
CID 88479031
N-butylbutan-1-amine;furan-2,5-dione
CID 88479033
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione;2-methylprop-1-ene
CID 88595733
furan-2,5-dione;N-propylpropan-1-amine
CID 159497181
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione
CID 161401430
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione
CID 175397001
ethyl (E)-4-(2-aminoethylamino)but-2-enoate
CID 80548186

Frequently Asked Questions

What is the IUPAC name of zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione?
The IUPAC name of zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione (CID 6455538) is zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione.
What is the SMILES notation for zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione?
The canonical SMILES for zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione is O=C1C=CC(=O)O1.[NH-]CCNCCNCCNCC[NH-].[Zn+2].
What is the InChIKey of zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione?
The InChIKey is IBOHVXCRKLYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5.C4H2O3.Zn/c9-1-3-11-5-7-13-8-6-12-4-2-10;5-3-1-2-4(6)7-3;/h9-13H,1-8H2;1-2H;/q-2;;+2.
What are the key properties of zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione?
zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione has a molecular weight of 350.74 g/mol, XLogP of -0.52, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione is sourced from PubChem (CID 6455538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).