bis(N,N-diethylethanamine);oxalic acid

C14H32N2O4 — CID 71339505

IUPACbis(N,N-diethylethanamine);oxalic acid
SMILESCCN(CC)CC.CCN(CC)CC.O=C(O)C(=O)O
InChIInChI=1S/2C6H15N.C2H2O4/c2*1-4-7(5-2)6-3;3-1(4)2(5)6/h2*4-6H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyCNWGYUFHGPCIBU-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.85
Rot. Bonds6

About bis(N,N-diethylethanamine);oxalic acid

bis(N,N-diethylethanamine);oxalic acid (PubChem CID 71339505) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is bis(N,N-diethylethanamine);oxalic acid.

Molecular Properties

Compound Namebis(N,N-diethylethanamine);oxalic acid
PubChem CID71339505
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Namebis(N,N-diethylethanamine);oxalic acid
SMILESCCN(CC)CC.CCN(CC)CC.O=C(O)C(=O)O
InChIInChI=1S/2C6H15N.C2H2O4/c2*1-4-7(5-2)6-3;3-1(4)2(5)6/h2*4-6H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyCNWGYUFHGPCIBU-UHFFFAOYSA-N
XLogP1.85
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
N,N-diethylethanamine;hydroxycarbamic acid
CID 174953323
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
N,N-diethylethanamine;methanol;acetate
CID 19101833
N,N-diethylethanamine;hypochlorous acid
CID 87187871
ethanol;oxalic acid
CID 172820699
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;oxotitanium
CID 174882939
N,N-diethylethanamine;formaldehyde
CID 88603277
acetic acid;acetonitrile;N,N-diethylethanamine;methanol
CID 159632516
N,N-diethylethanamine;hydroxy(oxo)phosphanium
CID 131738597

Frequently Asked Questions

What is the IUPAC name of bis(N,N-diethylethanamine);oxalic acid?
The IUPAC name of bis(N,N-diethylethanamine);oxalic acid (CID 71339505) is bis(N,N-diethylethanamine);oxalic acid.
What is the SMILES notation for bis(N,N-diethylethanamine);oxalic acid?
The canonical SMILES for bis(N,N-diethylethanamine);oxalic acid is CCN(CC)CC.CCN(CC)CC.O=C(O)C(=O)O.
What is the InChIKey of bis(N,N-diethylethanamine);oxalic acid?
The InChIKey is CNWGYUFHGPCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.C2H2O4/c2*1-4-7(5-2)6-3;3-1(4)2(5)6/h2*4-6H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of bis(N,N-diethylethanamine);oxalic acid?
bis(N,N-diethylethanamine);oxalic acid has a molecular weight of 292.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diethylethanamine);oxalic acid is sourced from PubChem (CID 71339505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).