gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride

C23H35AuCl2N3-2 — CID 173020259

IUPACgold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
SMILESCc1cc(C)c(NCCN(C)CCNc2c(C)cc(C)cc2C)c(C)c1.[Au].[Cl-].[Cl-]
InChIInChI=1S/C23H35N3.Au.2ClH/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;;;/h12-15,24-25H,8-11H2,1-7H3;;2*1H/p-2
InChIKeyNJBPXBJUZUBIRB-UHFFFAOYSA-L
MW621.43 g/mol
LogP-1.00
Rot. Bonds8

About gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride

gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride (PubChem CID 173020259) has the molecular formula C23H35AuCl2N3-2 and a molecular weight of 621.43 g/mol. Its IUPAC name is gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride.

Molecular Properties

Compound Namegold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
PubChem CID173020259
Molecular FormulaC23H35AuCl2N3-2
Molecular Weight621.43 g/mol
Exact Mass620.19
IUPAC Namegold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
SMILESCc1cc(C)c(NCCN(C)CCNc2c(C)cc(C)cc2C)c(C)c1.[Au].[Cl-].[Cl-]
InChIInChI=1S/C23H35N3.Au.2ClH/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;;;/h12-15,24-25H,8-11H2,1-7H3;;2*1H/p-2
InChIKeyNJBPXBJUZUBIRB-UHFFFAOYSA-L
XLogP-1.00
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.43
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride?
The IUPAC name of gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride (CID 173020259) is gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride.
What is the SMILES notation for gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride?
The canonical SMILES for gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride is Cc1cc(C)c(NCCN(C)CCNc2c(C)cc(C)cc2C)c(C)c1.[Au].[Cl-].[Cl-].
What is the InChIKey of gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride?
The InChIKey is NJBPXBJUZUBIRB-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H35N3.Au.2ClH/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;;;/h12-15,24-25H,8-11H2,1-7H3;;2*1H/p-2.
What are the key properties of gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride?
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride has a molecular weight of 621.43 g/mol, XLogP of -1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride is sourced from PubChem (CID 173020259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).