dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate

C28H32Cu2N10O8 — CID 139070862

IUPACdicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate
SMILESNCCC/N=C([O-])/C([O-])=N/CCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C8H18N4O2.2Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-3-1-5-11-7(13)8(14)12-6-2-4-10;;;2*2-1(3)4/h2*1-8H;1-6,9-10H2,(H,11,13)(H,12,14);;;;/q;;;2*+2;2*-1/p-2
InChIKeyJESPADIDXCBXDC-UHFFFAOYSA-L
MW763.72 g/mol
LogP1.01
Rot. Bonds8

About dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate

dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate (PubChem CID 139070862) has the molecular formula C28H32Cu2N10O8 and a molecular weight of 763.72 g/mol. Its IUPAC name is dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate.

Molecular Properties

Compound Namedicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate
PubChem CID139070862
Molecular FormulaC28H32Cu2N10O8
Molecular Weight763.72 g/mol
Exact Mass762.10
IUPAC Namedicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate
SMILESNCCC/N=C([O-])/C([O-])=N/CCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C8H18N4O2.2Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-3-1-5-11-7(13)8(14)12-6-2-4-10;;;2*2-1(3)4/h2*1-8H;1-6,9-10H2,(H,11,13)(H,12,14);;;;/q;;;2*+2;2*-1/p-2
InChIKeyJESPADIDXCBXDC-UHFFFAOYSA-L
XLogP1.01
TPSA306.84 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
Bis-(2,2'-bipyridine palladium nitrate) dication
CID 122164920
Dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
CID 139041411
bis(N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-6-[6-[(Z)-N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidoyl]-2-pyridinyl]pyridine-2-carboximidamide);manganese(2+);methanol;diperchlorate;dihydrate
CID 139045171
Copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate
CID 139053507
Dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate
CID 139053876
ZINC;tris(2-pyridin-2-ylpyridine);diperchlorate
CID 139054418
bis(2,2'-bipyridine)(dichromate)copper(II)
CID 139058526
bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate
CID 139058582
Di-mu-pivalamidato-kappa^4^N,O-bis[(sulfato)(2,2'-bipyridine-kappa^2^N,N')platinum(III)] tetrahydrate
CID 139059155

Frequently Asked Questions

What is the IUPAC name of dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate?
The IUPAC name of dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate (CID 139070862) is dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate.
What is the SMILES notation for dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate?
The canonical SMILES for dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate is NCCC/N=C([O-])/C([O-])=N/CCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate?
The InChIKey is JESPADIDXCBXDC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.C8H18N4O2.2Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-3-1-5-11-7(13)8(14)12-6-2-4-10;;;2*2-1(3)4/h2*1-8H;1-6,9-10H2,(H,11,13)(H,12,14);;;;/q;;;2*+2;2*-1/p-2.
What are the key properties of dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate?
dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate has a molecular weight of 763.72 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;N,N'-bis(3-aminopropyl)ethanediimidate;bis(2-pyridin-2-ylpyridine);dinitrate is sourced from PubChem (CID 139070862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).