(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper

C6H16CuN2O3P+ — CID 175026416

IUPAC(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper
SMILESCCCCO[P+](=O)ONCCN.[Cu]
InChIInChI=1S/C6H16N2O3P.Cu/c1-2-3-6-10-12(9)11-8-5-4-7;/h8H,2-7H2,1H3;/q+1;
InChIKeyBCHWGRGDBZFCPY-UHFFFAOYSA-N
MW258.72 g/mol
LogP0.94
Rot. Bonds8

About (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper

(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper (PubChem CID 175026416) has the molecular formula C6H16CuN2O3P+ and a molecular weight of 258.72 g/mol. Its IUPAC name is (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper.

Molecular Properties

Compound Name(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper
PubChem CID175026416
Molecular FormulaC6H16CuN2O3P+
Molecular Weight258.72 g/mol
Exact Mass258.02
IUPAC Name(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper
SMILESCCCCO[P+](=O)ONCCN.[Cu]
InChIInChI=1S/C6H16N2O3P.Cu/c1-2-3-6-10-12(9)11-8-5-4-7;/h8H,2-7H2,1H3;/q+1;
InChIKeyBCHWGRGDBZFCPY-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium
CID 175027187
[2-(2-aminoethylamino)ethylamino]oxy-(2-aminoethylamino)oxy-oxophosphanium
CID 175452910
butoxy-dodecoxy-oxophosphanium
CID 175103299
ethoxy-oxo-pentoxyphosphanium
CID 86182061
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
ethoxy-hexoxy-oxophosphanium
CID 6329155
dioctoxy(oxo)phosphanium;zinc
CID 175522796
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper?
The IUPAC name of (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper (CID 175026416) is (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper.
What is the SMILES notation for (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper?
The canonical SMILES for (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper is CCCCO[P+](=O)ONCCN.[Cu].
What is the InChIKey of (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper?
The InChIKey is BCHWGRGDBZFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3P.Cu/c1-2-3-6-10-12(9)11-8-5-4-7;/h8H,2-7H2,1H3;/q+1;.
What are the key properties of (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper?
(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper has a molecular weight of 258.72 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino)oxy-butoxy-oxophosphanium;copper is sourced from PubChem (CID 175026416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).