copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride

C31H51Cl2CuN3 — CID 18441346

IUPACcopper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
SMILESCc1cc(C(C)C)c(NCCN(C)CCNc2c(C(C)C)cc(C)cc2C(C)C)c(C(C)C)c1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C31H51N3.2ClH.Cu/c1-20(2)26-16-24(9)17-27(21(3)4)30(26)32-12-14-34(11)15-13-33-31-28(22(5)6)18-25(10)19-29(31)23(7)8;;;/h16-23,32-33H,12-15H2,1-11H3;2*1H;/q;;;+2/p-2
InChIKeyUANSXZMGUZAXDH-UHFFFAOYSA-L
MW600.22 g/mol
LogP2.26
Rot. Bonds12

About copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride

copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride (PubChem CID 18441346) has the molecular formula C31H51Cl2CuN3 and a molecular weight of 600.22 g/mol. Its IUPAC name is copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride.

Molecular Properties

Compound Namecopper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
PubChem CID18441346
Molecular FormulaC31H51Cl2CuN3
Molecular Weight600.22 g/mol
Exact Mass598.28
IUPAC Namecopper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
SMILESCc1cc(C(C)C)c(NCCN(C)CCNc2c(C(C)C)cc(C)cc2C(C)C)c(C(C)C)c1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C31H51N3.2ClH.Cu/c1-20(2)26-16-24(9)17-27(21(3)4)30(26)32-12-14-34(11)15-13-33-31-28(22(5)6)18-25(10)19-29(31)23(7)8;;;/h16-23,32-33H,12-15H2,1-11H3;2*1H;/q;;;+2/p-2
InChIKeyUANSXZMGUZAXDH-UHFFFAOYSA-L
XLogP2.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride with MolForge

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Related Compounds

iron(2+);N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441123
N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine
CID 18441669
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
CID 18441668
iron(2+);N-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N'-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441113
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
cobalt(2+);N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;dibromide
CID 18441101
N,4-dimethyl-2,6-di(propan-2-yl)aniline
CID 154688627
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321
N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine
CID 170637355
N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine
CID 18441023
copper;N'-(pyridin-2-ylmethyl)-N'-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441251

Frequently Asked Questions

What is the IUPAC name of copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride?
The IUPAC name of copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride (CID 18441346) is copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride.
What is the SMILES notation for copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride?
The canonical SMILES for copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride is Cc1cc(C(C)C)c(NCCN(C)CCNc2c(C(C)C)cc(C)cc2C(C)C)c(C(C)C)c1.[Cl-].[Cl-].[Cu+2].
What is the InChIKey of copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride?
The InChIKey is UANSXZMGUZAXDH-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H51N3.2ClH.Cu/c1-20(2)26-16-24(9)17-27(21(3)4)30(26)32-12-14-34(11)15-13-33-31-28(22(5)6)18-25(10)19-29(31)23(7)8;;;/h16-23,32-33H,12-15H2,1-11H3;2*1H;/q;;;+2/p-2.
What are the key properties of copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride?
copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride has a molecular weight of 600.22 g/mol, XLogP of 2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride is sourced from PubChem (CID 18441346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).