dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride

C25H48Al2Cl4N6 — CID 139151918

IUPACdialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride
SMILESCC(C)/N=C(/[N-]C(C)C)N(C)C.CC(C)/N=C(/[N-]C(C)C)N(C)C.Cc1ccccc1.[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C9H20N3.C7H8.2Al.4ClH/c2*1-7(2)10-9(12(5)6)11-8(3)4;1-7-5-3-2-4-6-7;;;;;;/h2*7-8H,1-6H3;2-6H,1H3;;;4*1H/q2*-1;;2*+3;;;;/p-4
InChIKeyVCTNCOFREPVBDZ-UHFFFAOYSA-J
MW628.48 g/mol
LogP-6.56
Rot. Bonds4

About dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride

dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride (PubChem CID 139151918) has the molecular formula C25H48Al2Cl4N6 and a molecular weight of 628.48 g/mol. Its IUPAC name is dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride.

Molecular Properties

Compound Namedialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride
PubChem CID139151918
Molecular FormulaC25H48Al2Cl4N6
Molecular Weight628.48 g/mol
Exact Mass626.23
IUPAC Namedialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride
SMILESCC(C)/N=C(/[N-]C(C)C)N(C)C.CC(C)/N=C(/[N-]C(C)C)N(C)C.Cc1ccccc1.[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C9H20N3.C7H8.2Al.4ClH/c2*1-7(2)10-9(12(5)6)11-8(3)4;1-7-5-3-2-4-6-7;;;;;;/h2*7-8H,1-6H3;2-6H,1H3;;;4*1H/q2*-1;;2*+3;;;;/p-4
InChIKeyVCTNCOFREPVBDZ-UHFFFAOYSA-J
XLogP-6.56
TPSA59.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.48
LogP ≤ 5-6.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride?
The IUPAC name of dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride (CID 139151918) is dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride.
What is the SMILES notation for dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride?
The canonical SMILES for dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride is CC(C)/N=C(/[N-]C(C)C)N(C)C.CC(C)/N=C(/[N-]C(C)C)N(C)C.Cc1ccccc1.[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride?
The InChIKey is VCTNCOFREPVBDZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C9H20N3.C7H8.2Al.4ClH/c2*1-7(2)10-9(12(5)6)11-8(3)4;1-7-5-3-2-4-6-7;;;;;;/h2*7-8H,1-6H3;2-6H,1H3;;;4*1H/q2*-1;;2*+3;;;;/p-4.
What are the key properties of dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride?
dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride has a molecular weight of 628.48 g/mol, XLogP of -6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;bis((N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide);toluene;tetrachloride is sourced from PubChem (CID 139151918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).