bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate

C16H30N4O6 — CID 57214184

IUPACbis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate
SMILESCC(C)(COC(=O)C(=O)OCC(C)(C)C(=O)NCCN)C(=O)NCCN
InChIInChI=1S/C16H30N4O6/c1-15(2,13(23)19-7-5-17)9-25-11(21)12(22)26-10-16(3,4)14(24)20-8-6-18/h5-10,17-18H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyWIGZDNLOBXVOJI-UHFFFAOYSA-N
MW374.44 g/mol
LogP-1.73
Rot. Bonds10

About bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate

bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate (PubChem CID 57214184) has the molecular formula C16H30N4O6 and a molecular weight of 374.44 g/mol. Its IUPAC name is bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate.

Molecular Properties

Compound Namebis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate
PubChem CID57214184
Molecular FormulaC16H30N4O6
Molecular Weight374.44 g/mol
Exact Mass374.22
IUPAC Namebis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate
SMILESCC(C)(COC(=O)C(=O)OCC(C)(C)C(=O)NCCN)C(=O)NCCN
InChIInChI=1S/C16H30N4O6/c1-15(2,13(23)19-7-5-17)9-25-11(21)12(22)26-10-16(3,4)14(24)20-8-6-18/h5-10,17-18H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyWIGZDNLOBXVOJI-UHFFFAOYSA-N
XLogP-1.73
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] nitrate;but-2-enedioic acid
CID 173374085
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]propanoate
CID 81489476
N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 166908184

Frequently Asked Questions

What is the IUPAC name of bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate?
The IUPAC name of bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate (CID 57214184) is bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate.
What is the SMILES notation for bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate?
The canonical SMILES for bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate is CC(C)(COC(=O)C(=O)OCC(C)(C)C(=O)NCCN)C(=O)NCCN.
What is the InChIKey of bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate?
The InChIKey is WIGZDNLOBXVOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O6/c1-15(2,13(23)19-7-5-17)9-25-11(21)12(22)26-10-16(3,4)14(24)20-8-6-18/h5-10,17-18H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate?
bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate has a molecular weight of 374.44 g/mol, XLogP of -1.73, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate is sourced from PubChem (CID 57214184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).