dicopper;bis(3-aminopropan-1-olate);dibromide

C6H16Br2Cu2N2O2 — CID 24821393

IUPACdicopper;bis(3-aminopropan-1-olate);dibromide
SMILESNCCC[O-].NCCC[O-].[Br-].[Br-].[Cu+2].[Cu+2]
InChIInChI=1S/2C3H8NO.2BrH.2Cu/c2*4-2-1-3-5;;;;/h2*1-4H2;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyBEIBUPIVCVHHCG-UHFFFAOYSA-L
MW435.11 g/mol
LogP-8.61
Rot. Bonds4

About dicopper;bis(3-aminopropan-1-olate);dibromide

dicopper;bis(3-aminopropan-1-olate);dibromide (PubChem CID 24821393) has the molecular formula C6H16Br2Cu2N2O2 and a molecular weight of 435.11 g/mol. Its IUPAC name is dicopper;bis(3-aminopropan-1-olate);dibromide.

Molecular Properties

Compound Namedicopper;bis(3-aminopropan-1-olate);dibromide
PubChem CID24821393
Molecular FormulaC6H16Br2Cu2N2O2
Molecular Weight435.11 g/mol
Exact Mass431.82
IUPAC Namedicopper;bis(3-aminopropan-1-olate);dibromide
SMILESNCCC[O-].NCCC[O-].[Br-].[Br-].[Cu+2].[Cu+2]
InChIInChI=1S/2C3H8NO.2BrH.2Cu/c2*4-2-1-3-5;;;;/h2*1-4H2;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyBEIBUPIVCVHHCG-UHFFFAOYSA-L
XLogP-8.61
TPSA98.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.11
LogP ≤ 5-8.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(3-aminopropan-1-olate);dibromide?
The IUPAC name of dicopper;bis(3-aminopropan-1-olate);dibromide (CID 24821393) is dicopper;bis(3-aminopropan-1-olate);dibromide.
What is the SMILES notation for dicopper;bis(3-aminopropan-1-olate);dibromide?
The canonical SMILES for dicopper;bis(3-aminopropan-1-olate);dibromide is NCCC[O-].NCCC[O-].[Br-].[Br-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(3-aminopropan-1-olate);dibromide?
The InChIKey is BEIBUPIVCVHHCG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8NO.2BrH.2Cu/c2*4-2-1-3-5;;;;/h2*1-4H2;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of dicopper;bis(3-aminopropan-1-olate);dibromide?
dicopper;bis(3-aminopropan-1-olate);dibromide has a molecular weight of 435.11 g/mol, XLogP of -8.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(3-aminopropan-1-olate);dibromide is sourced from PubChem (CID 24821393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).