2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid

C9H20N4O4 — CID 175431316

IUPAC2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid
SMILESCN(C)CCNC(=CNCCNC(=O)O)OO
InChIInChI=1S/C9H20N4O4/c1-13(2)6-5-11-8(17-16)7-10-3-4-12-9(14)15/h7,10-12,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyZBFVWLJRCUZMND-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.72
Rot. Bonds9

About 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid

2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid (PubChem CID 175431316) has the molecular formula C9H20N4O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid
PubChem CID175431316
Molecular FormulaC9H20N4O4
Molecular Weight248.28 g/mol
Exact Mass248.15
IUPAC Name2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid
SMILESCN(C)CCNC(=CNCCNC(=O)O)OO
InChIInChI=1S/C9H20N4O4/c1-13(2)6-5-11-8(17-16)7-10-3-4-12-9(14)15/h7,10-12,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyZBFVWLJRCUZMND-UHFFFAOYSA-N
XLogP-0.72
TPSA106.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid 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

2-(dimethylamino)ethylcarbamic acid;hydrochloride
CID 118321795
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
2-(dimethylamino)ethylurea
CID 16785331
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane
CID 175585074
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
CID 174189370
2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid (CID 175431316) is 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid is CN(C)CCNC(=CNCCNC(=O)O)OO.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid?
The InChIKey is ZBFVWLJRCUZMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O4/c1-13(2)6-5-11-8(17-16)7-10-3-4-12-9(14)15/h7,10-12,16H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid?
2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid has a molecular weight of 248.28 g/mol, XLogP of -0.72, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethylamino]-2-hydroperoxyethenyl]amino]ethylcarbamic acid is sourced from PubChem (CID 175431316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).