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

C40H62Cl2CuN4 — CID 18441251

About 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

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 (PubChem CID 18441251) has the molecular formula C40H62Cl2CuN4 and a molecular weight of 733.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 18441251
• Molecular Formula: C40H62Cl2CuN4
• Molecular Weight: 733.42 g/mol
• Exact Mass: 731.36
• IUPAC Name: 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
• SMILES: CC(C)c1cc(C(C)C)c(NCCN(CCNc2c(C(C)C)cc(C(C)C)cc2C(C)C)Cc2ccccn2)c(C(C)C)c1.[Cl-].[Cl-].[Cu+2]
• InChI: InChI=1S/C40H62N4.2ClH.Cu/c1-26(2)32-21-35(28(5)6)39(36(22-32)29(7)8)42-17-19-44(25-34-15-13-14-16-41-34)20-18-43-40-37(30(9)10)23-33(27(3)4)24-38(40)31(11)12;;;/h13-16,21-24,26-31,42-43H,17-20,25H2,1-12H3;2*1H;/q;;;+2/p-2
• InChIKey: NWZKYNIXRVZAEO-UHFFFAOYSA-L
• XLogP: 4.85
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	733.42
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1cc(C(C)C)c(NCCN(CCNc2c(C(C)C)cc(C(C)C)cc2C(C)C)Cc2ccccn2)c(C(C)C)c1.[Cl-].[Cl-].[Cu+2].

What is the InChIKey of 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?

The InChIKey is NWZKYNIXRVZAEO-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H62N4.2ClH.Cu/c1-26(2)32-21-35(28(5)6)39(36(22-32)29(7)8)42-17-19-44(25-34-15-13-14-16-41-34)20-18-43-40-37(30(9)10)23-33(27(3)4)24-38(40)31(11)12;;;/h13-16,21-24,26-31,42-43H,17-20,25H2,1-12H3;2*1H;/q;;;+2/p-2.

What are the key properties of 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?

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 has a molecular weight of 733.42 g/mol, XLogP of 4.85, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 18441251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).