ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)

C14H29AuN2O6 — CID 174680586

IUPACethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].CC(C)C(=O)[O-].NCCN.[Au+3]
InChIInChI=1S/3C4H8O2.C2H8N2.Au/c3*1-3(2)4(5)6;3-1-2-4;/h3*3H,1-2H3,(H,5,6);1-4H2;/q;;;;+3/p-3
InChIKeyWMBHZGBNZGDVMZ-UHFFFAOYSA-K
MW518.36 g/mol
LogP-2.92
Rot. Bonds4

About ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)

ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate) (PubChem CID 174680586) has the molecular formula C14H29AuN2O6 and a molecular weight of 518.36 g/mol. Its IUPAC name is ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate).

Molecular Properties

Compound Nameethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
PubChem CID174680586
Molecular FormulaC14H29AuN2O6
Molecular Weight518.36 g/mol
Exact Mass518.17
IUPAC Nameethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].CC(C)C(=O)[O-].NCCN.[Au+3]
InChIInChI=1S/3C4H8O2.C2H8N2.Au/c3*1-3(2)4(5)6;3-1-2-4;/h3*3H,1-2H3,(H,5,6);1-4H2;/q;;;;+3/p-3
InChIKeyWMBHZGBNZGDVMZ-UHFFFAOYSA-K
XLogP-2.92
TPSA172.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.36
LogP ≤ 5-2.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)?
The IUPAC name of ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate) (CID 174680586) is ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate).
What is the SMILES notation for ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)?
The canonical SMILES for ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate) is CC(C)C(=O)[O-].CC(C)C(=O)[O-].CC(C)C(=O)[O-].NCCN.[Au+3].
What is the InChIKey of ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)?
The InChIKey is WMBHZGBNZGDVMZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H8O2.C2H8N2.Au/c3*1-3(2)4(5)6;3-1-2-4;/h3*3H,1-2H3,(H,5,6);1-4H2;/q;;;;+3/p-3.
What are the key properties of ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)?
ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate) has a molecular weight of 518.36 g/mol, XLogP of -2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate) is sourced from PubChem (CID 174680586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).