copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide

C21H48Br2CuN10 — CID 169422766

IUPACcopper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
SMILESCN(C)C(=NCCN(CCN=C(N(C)C)N(C)C)CCN=C(N(C)C)N(C)C)N(C)C.[Br-].[Br-].[Cu+2]
InChIInChI=1S/C21H48N10.2BrH.Cu/c1-25(2)19(26(3)4)22-13-16-31(17-14-23-20(27(5)6)28(7)8)18-15-24-21(29(9)10)30(11)12;;;/h13-18H2,1-12H3;2*1H;/q;;;+2/p-2
InChIKeyPIQUIJJCADCIDM-UHFFFAOYSA-L
MW664.04 g/mol
LogP-6.27
Rot. Bonds9

About copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide

copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide (PubChem CID 169422766) has the molecular formula C21H48Br2CuN10 and a molecular weight of 664.04 g/mol. Its IUPAC name is copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide.

Molecular Properties

Compound Namecopper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
PubChem CID169422766
Molecular FormulaC21H48Br2CuN10
Molecular Weight664.04 g/mol
Exact Mass661.17
IUPAC Namecopper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
SMILESCN(C)C(=NCCN(CCN=C(N(C)C)N(C)C)CCN=C(N(C)C)N(C)C)N(C)C.[Br-].[Br-].[Cu+2]
InChIInChI=1S/C21H48N10.2BrH.Cu/c1-25(2)19(26(3)4)22-13-16-31(17-14-23-20(27(5)6)28(7)8)18-15-24-21(29(9)10)30(11)12;;;/h13-18H2,1-12H3;2*1H;/q;;;+2/p-2
InChIKeyPIQUIJJCADCIDM-UHFFFAOYSA-L
XLogP-6.27
TPSA59.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.04
LogP ≤ 5-6.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide?
The IUPAC name of copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide (CID 169422766) is copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide.
What is the SMILES notation for copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide?
The canonical SMILES for copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide is CN(C)C(=NCCN(CCN=C(N(C)C)N(C)C)CCN=C(N(C)C)N(C)C)N(C)C.[Br-].[Br-].[Cu+2].
What is the InChIKey of copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide?
The InChIKey is PIQUIJJCADCIDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H48N10.2BrH.Cu/c1-25(2)19(26(3)4)22-13-16-31(17-14-23-20(27(5)6)28(7)8)18-15-24-21(29(9)10)30(11)12;;;/h13-18H2,1-12H3;2*1H;/q;;;+2/p-2.
What are the key properties of copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide?
copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide has a molecular weight of 664.04 g/mol, XLogP of -6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide is sourced from PubChem (CID 169422766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).