1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione

C8H16N4O2 — CID 67612561

IUPAC1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione
SMILESNCCNCCNN1C(=O)CCC1=O
InChIInChI=1S/C8H16N4O2/c9-3-4-10-5-6-11-12-7(13)1-2-8(12)14/h10-11H,1-6,9H2
InChIKeyVLGPTNUYDDZHTB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.81
Rot. Bonds6

About 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione

1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione (PubChem CID 67612561) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione
PubChem CID67612561
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione
SMILESNCCNCCNN1C(=O)CCC1=O
InChIInChI=1S/C8H16N4O2/c9-3-4-10-5-6-11-12-7(13)1-2-8(12)14/h10-11H,1-6,9H2
InChIKeyVLGPTNUYDDZHTB-UHFFFAOYSA-N
XLogP-1.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;pyrrolidine-2,5-dione
CID 19064334
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
CID 121459092
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione (CID 67612561) is 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione is NCCNCCNN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is VLGPTNUYDDZHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-3-4-10-5-6-11-12-7(13)1-2-8(12)14/h10-11H,1-6,9H2.
What are the key properties of 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione?
1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 67612561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).