zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine

C14H24N4Zn — CID 139157440

IUPACzinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCN(C)CCN(C)C.[Zn+2].c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C6H16N2.2C4H4N.Zn/c1-7(2)5-6-8(3)4;2*1-2-4-5-3-1;/h5-6H2,1-4H3;2*1-4H;/q;2*-1;+2
InChIKeyLXSWSYHOQWFMBW-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.39
Rot. Bonds3

About zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine

zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 139157440) has the molecular formula C14H24N4Zn and a molecular weight of 313.76 g/mol. Its IUPAC name is zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

Compound Namezinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine
PubChem CID139157440
Molecular FormulaC14H24N4Zn
Molecular Weight313.76 g/mol
Exact Mass312.13
IUPAC Namezinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCN(C)CCN(C)C.[Zn+2].c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C6H16N2.2C4H4N.Zn/c1-7(2)5-6-8(3)4;2*1-2-4-5-3-1;/h5-6H2,1-4H3;2*1-4H;/q;2*-1;+2
InChIKeyLXSWSYHOQWFMBW-UHFFFAOYSA-N
XLogP1.39
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine?
The IUPAC name of zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine (CID 139157440) is zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine.
What is the SMILES notation for zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine?
The canonical SMILES for zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine is CN(C)CCN(C)C.[Zn+2].c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine?
The InChIKey is LXSWSYHOQWFMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2C4H4N.Zn/c1-7(2)5-6-8(3)4;2*1-2-4-5-3-1;/h5-6H2,1-4H3;2*1-4H;/q;2*-1;+2.
What are the key properties of zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine?
zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 313.76 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(pyrrol-1-ide);N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 139157440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).