dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate

C40H60Cl4N12O16Zn2 — CID 139081757

IUPACdizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate
SMILESCNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/4C10H15N3.4ClHO4.2Zn/c4*1-9(12-8-7-11-2)10-5-3-4-6-13-10;4*2-1(3,4)5;;/h4*3-6,11H,7-8H2,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4/b4*12-9+;;;;;;
InChIKeyDMKNFXLOQRIVMT-JMFXCNOUSA-J
MW1237.58 g/mol
LogP-14.59
Rot. Bonds16

About dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate

dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate (PubChem CID 139081757) has the molecular formula C40H60Cl4N12O16Zn2 and a molecular weight of 1237.58 g/mol. Its IUPAC name is dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate.

Molecular Properties

Compound Namedizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate
PubChem CID139081757
Molecular FormulaC40H60Cl4N12O16Zn2
Molecular Weight1237.58 g/mol
Exact Mass1232.16
IUPAC Namedizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate
SMILESCNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/4C10H15N3.4ClHO4.2Zn/c4*1-9(12-8-7-11-2)10-5-3-4-6-13-10;4*2-1(3,4)5;;/h4*3-6,11H,7-8H2,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4/b4*12-9+;;;;;;
InChIKeyDMKNFXLOQRIVMT-JMFXCNOUSA-J
XLogP-14.59
TPSA518.08 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.58
LogP ≤ 5-14.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
CID 139041411
dizinc;bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);tetraperchlorate
CID 139045230
bis(N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]-6-pyridin-2-ylpyridine-2-carboximidamide);bis(manganese(2+));tetraperchlorate
CID 139045232
bis(2-N',6-N'-bis[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);manganese;manganese(2+);tetraperchlorate
CID 139045236
bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
CID 139045238
Cu-tpbn
CID 139048259
ZINC;tris(2-pyridin-2-ylpyridine);diperchlorate
CID 139054418
tetracopper;bis(3-(pyrrol-1-id-2-ylmethylideneamino)-N-[[6-[[3-(pyrrol-1-id-2-ylmethylideneamino)propylamino]methyl]-2-pyridinyl]methyl]propan-1-amine);tetraisothiocyanate
CID 139054422
mu-oxo-bis[bis(2,2'-bipyridine-kappa^2^N,N')(sulfato-kappaO)iron(III)] undecahydrate
CID 139059937
mu-oxo-bis[bis(2,2'-bipyridine-kappa^2^N,N')(sulfato-kappaO)iron(III)] pentadecahydrate
CID 139059938
mu-{N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)}-1kappa^2^O,O':2kappa^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine-1kappa^2^N,N')dinickel(II) bis(perchlorate)
CID 139060080
Pentakis(2,6-dipyridin-2-ylpyridine);pentakis(lead(2+));decaperchlorate
CID 139060571

Frequently Asked Questions

What is the IUPAC name of dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate?
The IUPAC name of dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate (CID 139081757) is dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate.
What is the SMILES notation for dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate?
The canonical SMILES for dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate is CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.CNCC/N=C(\C)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate?
The InChIKey is DMKNFXLOQRIVMT-JMFXCNOUSA-J. The full InChI is InChI=1S/4C10H15N3.4ClHO4.2Zn/c4*1-9(12-8-7-11-2)10-5-3-4-6-13-10;4*2-1(3,4)5;;/h4*3-6,11H,7-8H2,1-2H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4/b4*12-9+;;;;;;.
What are the key properties of dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate?
dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate has a molecular weight of 1237.58 g/mol, XLogP of -14.59, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tetrakis(N-methyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraperchlorate is sourced from PubChem (CID 139081757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).