bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper

C8H20CuN4O6 — CID 87669341

IUPACbis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper
SMILES[Cu].[O-][N+](O)(O)CCN1CC1.[O-][N+](O)(O)CCN1CC1
InChIInChI=1S/2C4H10N2O3.Cu/c2*7-6(8,9)4-3-5-1-2-5;/h2*7-8H,1-4H2;
InChIKeyZEGKPBNZWNWAIE-UHFFFAOYSA-N
MW331.82 g/mol
LogP-1.21
Rot. Bonds6

About bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper

bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper (PubChem CID 87669341) has the molecular formula C8H20CuN4O6 and a molecular weight of 331.82 g/mol. Its IUPAC name is bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper.

Molecular Properties

Compound Namebis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper
PubChem CID87669341
Molecular FormulaC8H20CuN4O6
Molecular Weight331.82 g/mol
Exact Mass331.07
IUPAC Namebis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper
SMILES[Cu].[O-][N+](O)(O)CCN1CC1.[O-][N+](O)(O)CCN1CC1
InChIInChI=1S/2C4H10N2O3.Cu/c2*7-6(8,9)4-3-5-1-2-5;/h2*7-8H,1-4H2;
InChIKeyZEGKPBNZWNWAIE-UHFFFAOYSA-N
XLogP-1.21
TPSA133.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide
CID 87669342
1-[2-(aziridin-1-yl)ethyl]aziridine
CID 3009817
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
3-[4-(3-oxopropyl)piperazin-1-yl]propanal
CID 137349424
2-hydroxyethyl-dimethyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethyl]azanium
CID 53343856
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
CID 3042591
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
2-[4-[2-[diethyl(heptyl)azaniumyl]ethyl]piperazin-1-yl]ethyl-diethyl-heptylazanium dibromide
CID 24833617
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837

Frequently Asked Questions

What is the IUPAC name of bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper?
The IUPAC name of bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper (CID 87669341) is bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper.
What is the SMILES notation for bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper?
The canonical SMILES for bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper is [Cu].[O-][N+](O)(O)CCN1CC1.[O-][N+](O)(O)CCN1CC1.
What is the InChIKey of bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper?
The InChIKey is ZEGKPBNZWNWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2O3.Cu/c2*7-6(8,9)4-3-5-1-2-5;/h2*7-8H,1-4H2;.
What are the key properties of bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper?
bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper has a molecular weight of 331.82 g/mol, XLogP of -1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(aziridin-1-yl)-N,N-dihydroxyethanamine oxide);copper is sourced from PubChem (CID 87669341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).