zinc bis(1,1-bis(dimethylamino)ethanolate)

C12H30N4O2Zn — CID 19764270

IUPACzinc bis(1,1-bis(dimethylamino)ethanolate)
SMILESCN(C)C(C)([O-])N(C)C.CN(C)C(C)([O-])N(C)C.[Zn+2]
InChIInChI=1S/2C6H15N2O.Zn/c2*1-6(9,7(2)3)8(4)5;/h2*1-5H3;/q2*-1;+2
InChIKeyWHYUIPYBKMUULR-UHFFFAOYSA-N
MW327.79 g/mol
LogP-1.72
Rot. Bonds4

About zinc bis(1,1-bis(dimethylamino)ethanolate)

zinc bis(1,1-bis(dimethylamino)ethanolate) (PubChem CID 19764270) has the molecular formula C12H30N4O2Zn and a molecular weight of 327.79 g/mol. Its IUPAC name is zinc bis(1,1-bis(dimethylamino)ethanolate).

Molecular Properties

Compound Namezinc bis(1,1-bis(dimethylamino)ethanolate)
PubChem CID19764270
Molecular FormulaC12H30N4O2Zn
Molecular Weight327.79 g/mol
Exact Mass326.17
IUPAC Namezinc bis(1,1-bis(dimethylamino)ethanolate)
SMILESCN(C)C(C)([O-])N(C)C.CN(C)C(C)([O-])N(C)C.[Zn+2]
InChIInChI=1S/2C6H15N2O.Zn/c2*1-6(9,7(2)3)8(4)5;/h2*1-5H3;/q2*-1;+2
InChIKeyWHYUIPYBKMUULR-UHFFFAOYSA-N
XLogP-1.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(dimethylamino)ethanolate;ethanolate;tantalum
CID 157442584
N,N,2-trimethylpropan-2-amine;hydrobromide
CID 175344669
2-N',2-N'-dimethylpropane-2,2-diamine
CID 15097057
CID 175177684
CID 175177684
2-(dimethylamino)propan-2-ol
CID 11251968
triazanium;tris(2-methylpropan-2-olate)
CID 139799993
sodium tert-butanolate
CID 131726539
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
3-(dimethylamino)-3-methylbutan-2-ol
CID 59861746
potassium 1-(dimethylamino)-2-methylpropan-2-olate
CID 90331914
tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
CID 121235831

Frequently Asked Questions

What is the IUPAC name of zinc bis(1,1-bis(dimethylamino)ethanolate)?
The IUPAC name of zinc bis(1,1-bis(dimethylamino)ethanolate) (CID 19764270) is zinc bis(1,1-bis(dimethylamino)ethanolate).
What is the SMILES notation for zinc bis(1,1-bis(dimethylamino)ethanolate)?
The canonical SMILES for zinc bis(1,1-bis(dimethylamino)ethanolate) is CN(C)C(C)([O-])N(C)C.CN(C)C(C)([O-])N(C)C.[Zn+2].
What is the InChIKey of zinc bis(1,1-bis(dimethylamino)ethanolate)?
The InChIKey is WHYUIPYBKMUULR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N2O.Zn/c2*1-6(9,7(2)3)8(4)5;/h2*1-5H3;/q2*-1;+2.
What are the key properties of zinc bis(1,1-bis(dimethylamino)ethanolate)?
zinc bis(1,1-bis(dimethylamino)ethanolate) has a molecular weight of 327.79 g/mol, XLogP of -1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1,1-bis(dimethylamino)ethanolate) is sourced from PubChem (CID 19764270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).