zinc bis(N,N-dimethylaniline)

C16H20N2Zn — CID 134901977

IUPACzinc bis(N,N-dimethylaniline)
SMILESCN(C)c1c[c-]ccc1.CN(C)c1c[c-]ccc1.[Zn+2]
InChIInChI=1S/2C8H10N.Zn/c2*1-9(2)8-6-4-3-5-7-8;/h2*3-4,6-7H,1-2H3;/q2*-1;+2
InChIKeyUDILFVBWKCCOLA-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.10
Rot. Bonds2

About zinc bis(N,N-dimethylaniline)

zinc bis(N,N-dimethylaniline) (PubChem CID 134901977) has the molecular formula C16H20N2Zn and a molecular weight of 305.74 g/mol. Its IUPAC name is zinc bis(N,N-dimethylaniline).

Molecular Properties

Compound Namezinc bis(N,N-dimethylaniline)
PubChem CID134901977
Molecular FormulaC16H20N2Zn
Molecular Weight305.74 g/mol
Exact Mass304.09
IUPAC Namezinc bis(N,N-dimethylaniline)
SMILESCN(C)c1c[c-]ccc1.CN(C)c1c[c-]ccc1.[Zn+2]
InChIInChI=1S/2C8H10N.Zn/c2*1-9(2)8-6-4-3-5-7-8;/h2*3-4,6-7H,1-2H3;/q2*-1;+2
InChIKeyUDILFVBWKCCOLA-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc bis(N,N-dimethylaniline)?
The IUPAC name of zinc bis(N,N-dimethylaniline) (CID 134901977) is zinc bis(N,N-dimethylaniline).
What is the SMILES notation for zinc bis(N,N-dimethylaniline)?
The canonical SMILES for zinc bis(N,N-dimethylaniline) is CN(C)c1c[c-]ccc1.CN(C)c1c[c-]ccc1.[Zn+2].
What is the InChIKey of zinc bis(N,N-dimethylaniline)?
The InChIKey is UDILFVBWKCCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N.Zn/c2*1-9(2)8-6-4-3-5-7-8;/h2*3-4,6-7H,1-2H3;/q2*-1;+2.
What are the key properties of zinc bis(N,N-dimethylaniline)?
zinc bis(N,N-dimethylaniline) has a molecular weight of 305.74 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N,N-dimethylaniline) is sourced from PubChem (CID 134901977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).