bis(2-(diethylamino)ethanol);bis(iodocopper(1+))

C12H30Cu2I2N2O2+2 — CID 6397704

IUPACbis(2-(diethylamino)ethanol);bis(iodocopper(1+))
SMILESCCN(CC)CCO.CCN(CC)CCO.[Cu+]I.[Cu+]I
InChIInChI=1S/2C6H15NO.2Cu.2HI/c2*1-3-7(4-2)5-6-8;;;;/h2*8H,3-6H2,1-2H3;;;2*1H/q;;2*+2;;/p-2
InChIKeyIUWIKTPSZKNVRY-UHFFFAOYSA-L
MW615.28 g/mol
LogP2.41
Rot. Bonds8

About bis(2-(diethylamino)ethanol);bis(iodocopper(1+))

bis(2-(diethylamino)ethanol);bis(iodocopper(1+)) (PubChem CID 6397704) has the molecular formula C12H30Cu2I2N2O2+2 and a molecular weight of 615.28 g/mol. Its IUPAC name is bis(2-(diethylamino)ethanol);bis(iodocopper(1+)).

Molecular Properties

Compound Namebis(2-(diethylamino)ethanol);bis(iodocopper(1+))
PubChem CID6397704
Molecular FormulaC12H30Cu2I2N2O2+2
Molecular Weight615.28 g/mol
Exact Mass613.90
IUPAC Namebis(2-(diethylamino)ethanol);bis(iodocopper(1+))
SMILESCCN(CC)CCO.CCN(CC)CCO.[Cu+]I.[Cu+]I
InChIInChI=1S/2C6H15NO.2Cu.2HI/c2*1-3-7(4-2)5-6-8;;;;/h2*8H,3-6H2,1-2H3;;;2*1H/q;;2*+2;;/p-2
InChIKeyIUWIKTPSZKNVRY-UHFFFAOYSA-L
XLogP2.41
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
CID 159789530
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
bis(2-(diethylamino)ethanol);hexanedioic acid
CID 22571154
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459

Frequently Asked Questions

What is the IUPAC name of bis(2-(diethylamino)ethanol);bis(iodocopper(1+))?
The IUPAC name of bis(2-(diethylamino)ethanol);bis(iodocopper(1+)) (CID 6397704) is bis(2-(diethylamino)ethanol);bis(iodocopper(1+)).
What is the SMILES notation for bis(2-(diethylamino)ethanol);bis(iodocopper(1+))?
The canonical SMILES for bis(2-(diethylamino)ethanol);bis(iodocopper(1+)) is CCN(CC)CCO.CCN(CC)CCO.[Cu+]I.[Cu+]I.
What is the InChIKey of bis(2-(diethylamino)ethanol);bis(iodocopper(1+))?
The InChIKey is IUWIKTPSZKNVRY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H15NO.2Cu.2HI/c2*1-3-7(4-2)5-6-8;;;;/h2*8H,3-6H2,1-2H3;;;2*1H/q;;2*+2;;/p-2.
What are the key properties of bis(2-(diethylamino)ethanol);bis(iodocopper(1+))?
bis(2-(diethylamino)ethanol);bis(iodocopper(1+)) has a molecular weight of 615.28 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(diethylamino)ethanol);bis(iodocopper(1+)) is sourced from PubChem (CID 6397704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).