copper;propylazanide;dihydrate

C6H18CuN2O2-4 — CID 162050528

IUPACcopper;propylazanide;dihydrate
SMILESO.O.[CH2-]CC[NH-].[CH2-]CC[NH-].[Cu]
InChIInChI=1S/2C3H7N.Cu.2H2O/c2*1-2-3-4;;;/h2*4H,1-3H2;;2*1H2/q2*-2;;;
InChIKeyBDESVLSIQOZGHJ-UHFFFAOYSA-N
MW213.77 g/mol
LogP0.87
Rot. Bonds2

About copper;propylazanide;dihydrate

copper;propylazanide;dihydrate (PubChem CID 162050528) has the molecular formula C6H18CuN2O2-4 and a molecular weight of 213.77 g/mol. Its IUPAC name is copper;propylazanide;dihydrate.

Molecular Properties

Compound Namecopper;propylazanide;dihydrate
PubChem CID162050528
Molecular FormulaC6H18CuN2O2-4
Molecular Weight213.77 g/mol
Exact Mass213.07
IUPAC Namecopper;propylazanide;dihydrate
SMILESO.O.[CH2-]CC[NH-].[CH2-]CC[NH-].[Cu]
InChIInChI=1S/2C3H7N.Cu.2H2O/c2*1-2-3-4;;;/h2*4H,1-3H2;;2*1H2/q2*-2;;;
InChIKeyBDESVLSIQOZGHJ-UHFFFAOYSA-N
XLogP0.87
TPSA110.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.77
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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butylazanide;bis((Z)-3-hydroxyprop-2-enal);iridium(3+);propylazanide
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Frequently Asked Questions

What is the IUPAC name of copper;propylazanide;dihydrate?
The IUPAC name of copper;propylazanide;dihydrate (CID 162050528) is copper;propylazanide;dihydrate.
What is the SMILES notation for copper;propylazanide;dihydrate?
The canonical SMILES for copper;propylazanide;dihydrate is O.O.[CH2-]CC[NH-].[CH2-]CC[NH-].[Cu].
What is the InChIKey of copper;propylazanide;dihydrate?
The InChIKey is BDESVLSIQOZGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7N.Cu.2H2O/c2*1-2-3-4;;;/h2*4H,1-3H2;;2*1H2/q2*-2;;;.
What are the key properties of copper;propylazanide;dihydrate?
copper;propylazanide;dihydrate has a molecular weight of 213.77 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;propylazanide;dihydrate is sourced from PubChem (CID 162050528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).