dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate

C14H24Cl2Cu2N10O10 — CID 139056923

IUPACdicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate
SMILESNCCc1ccccn1.NCCc1ccccn1.O.O.[Cu+2].[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C7H10N2.2ClHO4.2Cu.2N3.2H2O/c2*8-5-4-7-3-1-2-6-9-7;2*2-1(3,4)5;;;2*1-3-2;;/h2*1-3,6H,4-5,8H2;2*(H,2,3,4,5);;;;;2*1H2/q;;;;2*+2;2*-1;;/p-2
InChIKeyYWSCCEPZDVGUGV-UHFFFAOYSA-L
MW690.40 g/mol
LogP-8.27
Rot. Bonds4

About dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate

dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate (PubChem CID 139056923) has the molecular formula C14H24Cl2Cu2N10O10 and a molecular weight of 690.40 g/mol. Its IUPAC name is dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate.

Molecular Properties

Compound Namedicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate
PubChem CID139056923
Molecular FormulaC14H24Cl2Cu2N10O10
Molecular Weight690.40 g/mol
Exact Mass687.96
IUPAC Namedicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate
SMILESNCCc1ccccn1.NCCc1ccccn1.O.O.[Cu+2].[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C7H10N2.2ClHO4.2Cu.2N3.2H2O/c2*8-5-4-7-3-1-2-6-9-7;2*2-1(3,4)5;;;2*1-3-2;;/h2*1-3,6H,4-5,8H2;2*(H,2,3,4,5);;;;;2*1H2/q;;;;2*+2;2*-1;;/p-2
InChIKeyYWSCCEPZDVGUGV-UHFFFAOYSA-L
XLogP-8.27
TPSA442.70 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.40
LogP ≤ 5-8.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
2-(2-fluoroethyl)pyridine
CID 23246235
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
ethane;pyridin-2-ylmethanamine
CID 90791011
2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide
CID 160801912
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
dichlororuthenium;tris(pyridin-2-ylmethyl)azanium;perchlorate
CID 11827856
zinc;acetonitrile;2-[bis(2-pyridin-2-ylethyl)amino]ethanol;diperchlorate;hydrate
CID 139059965
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
9-pyridin-2-ylnonan-1-ol
CID 12680899

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate?
The IUPAC name of dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate (CID 139056923) is dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate.
What is the SMILES notation for dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate?
The canonical SMILES for dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate is NCCc1ccccn1.NCCc1ccccn1.O.O.[Cu+2].[Cu+2].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate?
The InChIKey is YWSCCEPZDVGUGV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H10N2.2ClHO4.2Cu.2N3.2H2O/c2*8-5-4-7-3-1-2-6-9-7;2*2-1(3,4)5;;;2*1-3-2;;/h2*1-3,6H,4-5,8H2;2*(H,2,3,4,5);;;;;2*1H2/q;;;;2*+2;2*-1;;/p-2.
What are the key properties of dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate?
dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate has a molecular weight of 690.40 g/mol, XLogP of -8.27, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate is sourced from PubChem (CID 139056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).