bis[amino(ethyl)amino] oxalate

C6H14N4O4 — CID 87351303

IUPACbis[amino(ethyl)amino] oxalate
SMILESCCN(N)OC(=O)C(=O)ON(N)CC
InChIInChI=1S/C6H14N4O4/c1-3-9(7)13-5(11)6(12)14-10(8)4-2/h3-4,7-8H2,1-2H3
InChIKeyIVZSCKXFQKYRGJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.71
Rot. Bonds4

About bis[amino(ethyl)amino] oxalate

bis[amino(ethyl)amino] oxalate (PubChem CID 87351303) has the molecular formula C6H14N4O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is bis[amino(ethyl)amino] oxalate.

Molecular Properties

Compound Namebis[amino(ethyl)amino] oxalate
PubChem CID87351303
Molecular FormulaC6H14N4O4
Molecular Weight206.20 g/mol
Exact Mass206.10
IUPAC Namebis[amino(ethyl)amino] oxalate
SMILESCCN(N)OC(=O)C(=O)ON(N)CC
InChIInChI=1S/C6H14N4O4/c1-3-9(7)13-5(11)6(12)14-10(8)4-2/h3-4,7-8H2,1-2H3
InChIKeyIVZSCKXFQKYRGJ-UHFFFAOYSA-N
XLogP-1.71
TPSA111.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[amino(ethyl)amino] hydrogen carbonate
CID 174793362
diethylamino 2-amino-2-oxoacetate
CID 123923586
N-ethyl-2,2-dimethylpropanehydrazide
CID 56982363
ethyl N,N-diaminocarbamate
CID 54365685
1-ethyl-1-methylsulfanyloxyhydrazine
CID 134424408
acetyloxymethyl acetate;azane
CID 172795061
CID 159370772
CID 159370772
1-[diazonio(ethyl)amino]oxy-1-oxoethane
CID 90943800
butyl N-amino-N-ethylcarbamate
CID 87167247
1-O-amino 3-O-(diethylamino) propanedioate
CID 174719636
[(3-amino-3-oxopropanoyl)oxy-ethylamino] 3-amino-3-oxopropanoate;hydrochloride
CID 88751629
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244

Frequently Asked Questions

What is the IUPAC name of bis[amino(ethyl)amino] oxalate?
The IUPAC name of bis[amino(ethyl)amino] oxalate (CID 87351303) is bis[amino(ethyl)amino] oxalate.
What is the SMILES notation for bis[amino(ethyl)amino] oxalate?
The canonical SMILES for bis[amino(ethyl)amino] oxalate is CCN(N)OC(=O)C(=O)ON(N)CC.
What is the InChIKey of bis[amino(ethyl)amino] oxalate?
The InChIKey is IVZSCKXFQKYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O4/c1-3-9(7)13-5(11)6(12)14-10(8)4-2/h3-4,7-8H2,1-2H3.
What are the key properties of bis[amino(ethyl)amino] oxalate?
bis[amino(ethyl)amino] oxalate has a molecular weight of 206.20 g/mol, XLogP of -1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[amino(ethyl)amino] oxalate is sourced from PubChem (CID 87351303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).