zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate

C21H24Cl2N4O8Zn — CID 139055995

IUPACzinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C21H24N4.2ClHO4.Zn/c1-4-13-22-19(7-1)10-16-25(17-11-20-8-2-5-14-23-20)18-12-21-9-3-6-15-24-21;2*2-1(3,4)5;/h1-9,13-15H,10-12,16-18H2;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyDUCVLLYLFHVCMJ-UHFFFAOYSA-L
MW596.74 g/mol
LogP-6.31
Rot. Bonds9

About zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate

zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate (PubChem CID 139055995) has the molecular formula C21H24Cl2N4O8Zn and a molecular weight of 596.74 g/mol. Its IUPAC name is zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate.

Molecular Properties

Compound Namezinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
PubChem CID139055995
Molecular FormulaC21H24Cl2N4O8Zn
Molecular Weight596.74 g/mol
Exact Mass594.03
IUPAC Namezinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C21H24N4.2ClHO4.Zn/c1-4-13-22-19(7-1)10-16-25(17-11-20-8-2-5-14-23-20)18-12-21-9-3-6-15-24-21;2*2-1(3,4)5;/h1-9,13-15H,10-12,16-18H2;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyDUCVLLYLFHVCMJ-UHFFFAOYSA-L
XLogP-6.31
TPSA226.39 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.74
LogP ≤ 5-6.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

zinc;acetonitrile;2-[bis(2-pyridin-2-ylethyl)amino]ethanol;diperchlorate;hydrate
CID 139059965
N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 63761672
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964
[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
CID 15290103
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate
CID 139056923

Frequently Asked Questions

What is the IUPAC name of zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate?
The IUPAC name of zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate (CID 139055995) is zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate.
What is the SMILES notation for zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate?
The canonical SMILES for zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1.
What is the InChIKey of zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate?
The InChIKey is DUCVLLYLFHVCMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H24N4.2ClHO4.Zn/c1-4-13-22-19(7-1)10-16-25(17-11-20-8-2-5-14-23-20)18-12-21-9-3-6-15-24-21;2*2-1(3,4)5;/h1-9,13-15H,10-12,16-18H2;2*(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate?
zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate has a molecular weight of 596.74 g/mol, XLogP of -6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate is sourced from PubChem (CID 139055995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).