3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane

C9H20N4O2 — CID 144561873

IUPAC3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane
SMILESCC.NCCCN(N)C1CC(=O)NC1=O
InChIInChI=1S/C7H14N4O2.C2H6/c8-2-1-3-11(9)5-4-6(12)10-7(5)13;1-2/h5H,1-4,8-9H2,(H,10,12,13);1-2H3
InChIKeyZALSDZHAEGENCE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.05
Rot. Bonds4

About 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane

3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane (PubChem CID 144561873) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane
PubChem CID144561873
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane
SMILESCC.NCCCN(N)C1CC(=O)NC1=O
InChIInChI=1S/C7H14N4O2.C2H6/c8-2-1-3-11(9)5-4-6(12)10-7(5)13;1-2/h5H,1-4,8-9H2,(H,10,12,13);1-2H3
InChIKeyZALSDZHAEGENCE-UHFFFAOYSA-N
XLogP-1.05
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[azetidin-3-yl(propyl)amino]pyrrolidine-2,5-dione
CID 66216126
(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
CID 28605219
4-(3-aminopropyl)piperidine-2,6-dione
CID 55254215
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid
CID 79269635
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione
CID 118882236
ethane;propane;3-sulfanylpyrrolidine-2,5-dione
CID 144975396
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
CID 175152046

Frequently Asked Questions

What is the IUPAC name of 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane?
The IUPAC name of 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane (CID 144561873) is 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane?
The canonical SMILES for 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane is CC.NCCCN(N)C1CC(=O)NC1=O.
What is the InChIKey of 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane?
The InChIKey is ZALSDZHAEGENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2.C2H6/c8-2-1-3-11(9)5-4-6(12)10-7(5)13;1-2/h5H,1-4,8-9H2,(H,10,12,13);1-2H3.
What are the key properties of 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane?
3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane has a molecular weight of 216.28 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 144561873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).