tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate

C14H38Cl2Cu3N4O13 — CID 139157829

IUPACtricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate
SMILESCCO.NCCC[O-].NCCC[O-].NCCC[O-].NCCC[O-].[Cu+2].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C3H8NO.C2H6O.2ClHO4.3Cu/c4*4-2-1-3-5;1-2-3;2*2-1(3,4)5;;;/h4*1-4H2;3H,2H2,1H3;2*(H,2,3,4,5);;;/q4*-1;;;;3*+2/p-2
InChIKeyFFGYAZFKLDAWQN-UHFFFAOYSA-L
MW732.02 g/mol
LogP-14.74
Rot. Bonds8

About tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate

tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate (PubChem CID 139157829) has the molecular formula C14H38Cl2Cu3N4O13 and a molecular weight of 732.02 g/mol. Its IUPAC name is tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate.

Molecular Properties

Compound Nametricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate
PubChem CID139157829
Molecular FormulaC14H38Cl2Cu3N4O13
Molecular Weight732.02 g/mol
Exact Mass728.97
IUPAC Nametricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate
SMILESCCO.NCCC[O-].NCCC[O-].NCCC[O-].NCCC[O-].[Cu+2].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C3H8NO.C2H6O.2ClHO4.3Cu/c4*4-2-1-3-5;1-2-3;2*2-1(3,4)5;;;/h4*1-4H2;3H,2H2,1H3;2*(H,2,3,4,5);;;/q4*-1;;;;3*+2/p-2
InChIKeyFFGYAZFKLDAWQN-UHFFFAOYSA-L
XLogP-14.74
TPSA401.03 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.02
LogP ≤ 5-14.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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Related Compounds

dicopper;bis(3-aminopropan-1-olate);dibromide
CID 24821393
ethanol;octane-1,8-diamine
CID 159247635
nickel(2+);tris(propane-1,3-diamine);diperchlorate
CID 71677191
ethanol;octan-1-amine;hydrate
CID 174925866
cobalt(3+);tris(ethane-1,2-diamine);triperchlorate
CID 12059587
tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate
CID 139154715
3-aminopropyltin(3+);ethanolate
CID 159927858
indium(3+);propan-1-ol;tris(propan-1-olate)
CID 172808017
3-aminopropan-1-ol;ethane
CID 91172061
tris(butan-1-amine);methylsilane
CID 161377074
2-aminoethanolate
CID 23498372
ethanol;gold;hydrobromide
CID 175287500

Frequently Asked Questions

What is the IUPAC name of tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate?
The IUPAC name of tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate (CID 139157829) is tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate.
What is the SMILES notation for tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate?
The canonical SMILES for tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate is CCO.NCCC[O-].NCCC[O-].NCCC[O-].NCCC[O-].[Cu+2].[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate?
The InChIKey is FFGYAZFKLDAWQN-UHFFFAOYSA-L. The full InChI is InChI=1S/4C3H8NO.C2H6O.2ClHO4.3Cu/c4*4-2-1-3-5;1-2-3;2*2-1(3,4)5;;;/h4*1-4H2;3H,2H2,1H3;2*(H,2,3,4,5);;;/q4*-1;;;;3*+2/p-2.
What are the key properties of tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate?
tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate has a molecular weight of 732.02 g/mol, XLogP of -14.74, 8 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tetrakis(3-aminopropan-1-olate);ethanol;diperchlorate is sourced from PubChem (CID 139157829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).