dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate

C20H48Cl4Cu2N12O16 — CID 139069725

IUPACdicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate
SMILESCn1ccnc1.Cn1ccnc1.NCCN(CCN)CCN.NCCN(CCN)CCN.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C6H18N4.2C4H6N2.4ClHO4.2Cu/c2*7-1-4-10(5-2-8)6-3-9;2*1-6-3-2-5-4-6;4*2-1(3,4)5;;/h2*1-9H2;2*2-4H,1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyLCWQHVGQZOLDGX-UHFFFAOYSA-J
MW981.58 g/mol
LogP-21.86
Rot. Bonds12

About dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate

dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate (PubChem CID 139069725) has the molecular formula C20H48Cl4Cu2N12O16 and a molecular weight of 981.58 g/mol. Its IUPAC name is dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate
PubChem CID139069725
Molecular FormulaC20H48Cl4Cu2N12O16
Molecular Weight981.58 g/mol
Exact Mass978.07
IUPAC Namedicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate
SMILESCn1ccnc1.Cn1ccnc1.NCCN(CCN)CCN.NCCN(CCN)CCN.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C6H18N4.2C4H6N2.4ClHO4.2Cu/c2*7-1-4-10(5-2-8)6-3-9;2*1-6-3-2-5-4-6;4*2-1(3,4)5;;/h2*1-9H2;2*2-4H,1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyLCWQHVGQZOLDGX-UHFFFAOYSA-J
XLogP-21.86
TPSA567.20 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.58
LogP ≤ 5-21.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate?
The IUPAC name of dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate (CID 139069725) is dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate.
What is the SMILES notation for dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate?
The canonical SMILES for dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate is Cn1ccnc1.Cn1ccnc1.NCCN(CCN)CCN.NCCN(CCN)CCN.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate?
The InChIKey is LCWQHVGQZOLDGX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H18N4.2C4H6N2.4ClHO4.2Cu/c2*7-1-4-10(5-2-8)6-3-9;2*1-6-3-2-5-4-6;4*2-1(3,4)5;;/h2*1-9H2;2*2-4H,1H3;4*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate?
dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate has a molecular weight of 981.58 g/mol, XLogP of -21.86, 12 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N',N'-bis(2-aminoethyl)ethane-1,2-diamine);bis(1-methylimidazole);tetraperchlorate is sourced from PubChem (CID 139069725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).