2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium

C10H18N3O2+ — CID 118890991

IUPAC2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium
SMILESC[N+](C)(CCN)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H18N3O2/c1-13(2,7-5-11)8-6-12-9(14)3-4-10(12)15/h3-4H,5-8,11H2,1-2H3/q+1
InChIKeyONGUSQBKDIGSKU-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.05
Rot. Bonds5

About 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium

2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium (PubChem CID 118890991) has the molecular formula C10H18N3O2+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium
PubChem CID118890991
Molecular FormulaC10H18N3O2+
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium
SMILESC[N+](C)(CCN)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H18N3O2/c1-13(2,7-5-11)8-6-12-9(14)3-4-10(12)15/h3-4H,5-8,11H2,1-2H3/q+1
InChIKeyONGUSQBKDIGSKU-UHFFFAOYSA-N
XLogP-1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium?
The IUPAC name of 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium (CID 118890991) is 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium.
What is the SMILES notation for 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium?
The canonical SMILES for 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium is C[N+](C)(CCN)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium?
The InChIKey is ONGUSQBKDIGSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O2/c1-13(2,7-5-11)8-6-12-9(14)3-4-10(12)15/h3-4H,5-8,11H2,1-2H3/q+1.
What are the key properties of 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium?
2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium has a molecular weight of 212.27 g/mol, XLogP of -1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 118890991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).