copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate

C10H30CuN5O5+3 — CID 54600462

IUPACcopper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate
SMILESCC([OH2+])CNCCN.CC([OH2+])CNCCN.O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/2C5H14N2O.Cu.NO3/c2*1-5(8)4-7-3-2-6;;2-1(3)4/h2*5,7-8H,2-4,6H2,1H3;;/q;;+2;-1/p+2
InChIKeyZBAJTPQPEFEBRT-UHFFFAOYSA-P
MW363.93 g/mol
LogP-2.95
Rot. Bonds8

About copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate

copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate (PubChem CID 54600462) has the molecular formula C10H30CuN5O5+3 and a molecular weight of 363.93 g/mol. Its IUPAC name is copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate.

Molecular Properties

Compound Namecopper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate
PubChem CID54600462
Molecular FormulaC10H30CuN5O5+3
Molecular Weight363.93 g/mol
Exact Mass363.15
IUPAC Namecopper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate
SMILESCC([OH2+])CNCCN.CC([OH2+])CNCCN.O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/2C5H14N2O.Cu.NO3/c2*1-5(8)4-7-3-2-6;;2-1(3)4/h2*5,7-8H,2-4,6H2,1H3;;/q;;+2;-1/p+2
InChIKeyZBAJTPQPEFEBRT-UHFFFAOYSA-P
XLogP-2.95
TPSA188.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 5-2.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate?
The IUPAC name of copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate (CID 54600462) is copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate.
What is the SMILES notation for copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate?
The canonical SMILES for copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate is CC([OH2+])CNCCN.CC([OH2+])CNCCN.O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate?
The InChIKey is ZBAJTPQPEFEBRT-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H14N2O.Cu.NO3/c2*1-5(8)4-7-3-2-6;;2-1(3)4/h2*5,7-8H,2-4,6H2,1H3;;/q;;+2;-1/p+2.
What are the key properties of copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate?
copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate has a molecular weight of 363.93 g/mol, XLogP of -2.95, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1-(2-aminoethylamino)propan-2-yloxidanium);nitrate is sourced from PubChem (CID 54600462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).