bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)

C22H46N4Ni — CID 170556263

IUPACbis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)
SMILESCC/N=[C-]/N(C(C)(C)C)C(C)(C)C.CC/N=[C-]\N(C(C)(C)C)C(C)(C)C.[Ni+2]
InChIInChI=1S/2C11H23N2.Ni/c2*1-8-12-9-13(10(2,3)4)11(5,6)7;/h2*8H2,1-7H3;/q2*-1;+2
InChIKeyCREHDMYKXJADNN-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.62
Rot. Bonds4

About bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)

bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+) (PubChem CID 170556263) has the molecular formula C22H46N4Ni and a molecular weight of 425.33 g/mol. Its IUPAC name is bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+).

Molecular Properties

Compound Namebis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)
PubChem CID170556263
Molecular FormulaC22H46N4Ni
Molecular Weight425.33 g/mol
Exact Mass424.31
IUPAC Namebis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)
SMILESCC/N=[C-]/N(C(C)(C)C)C(C)(C)C.CC/N=[C-]\N(C(C)(C)C)C(C)(C)C.[Ni+2]
InChIInChI=1S/2C11H23N2.Ni/c2*1-8-12-9-13(10(2,3)4)11(5,6)7;/h2*8H2,1-7H3;/q2*-1;+2
InChIKeyCREHDMYKXJADNN-UHFFFAOYSA-N
XLogP5.62
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)?
The IUPAC name of bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+) (CID 170556263) is bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+).
What is the SMILES notation for bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)?
The canonical SMILES for bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+) is CC/N=[C-]/N(C(C)(C)C)C(C)(C)C.CC/N=[C-]\N(C(C)(C)C)C(C)(C)C.[Ni+2].
What is the InChIKey of bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)?
The InChIKey is CREHDMYKXJADNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N2.Ni/c2*1-8-12-9-13(10(2,3)4)11(5,6)7;/h2*8H2,1-7H3;/q2*-1;+2.
What are the key properties of bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+)?
bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+) has a molecular weight of 425.33 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-N-(ethyliminomethyl)-2-methylpropan-2-amine);nickel(2+) is sourced from PubChem (CID 170556263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).