3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium

C7H13N4Y- — CID 59878530

IUPAC3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium
SMILES[H]/N=C(\N)N1CC=C(C[CH-]N)C1.[Y]
InChIInChI=1S/C7H13N4.Y/c8-3-1-6-2-4-11(5-6)7(9)10;/h2-3H,1,4-5,8H2,(H3,9,10);/q-1;
InChIKeyRLEUVGBAYIVRFE-UHFFFAOYSA-N
MW242.11 g/mol
LogP-0.37
Rot. Bonds2

About 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium

3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium (PubChem CID 59878530) has the molecular formula C7H13N4Y- and a molecular weight of 242.11 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium
PubChem CID59878530
Molecular FormulaC7H13N4Y-
Molecular Weight242.11 g/mol
Exact Mass242.02
IUPAC Name3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium
SMILES[H]/N=C(\N)N1CC=C(C[CH-]N)C1.[Y]
InChIInChI=1S/C7H13N4.Y/c8-3-1-6-2-4-11(5-6)7(9)10;/h2-3H,1,4-5,8H2,(H3,9,10);/q-1;
InChIKeyRLEUVGBAYIVRFE-UHFFFAOYSA-N
XLogP-0.37
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
CID 22325991
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878518
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878519
[2-(1-Carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylamino]methylidyneoxidanium
CID 90763509
Methanamine;2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)ethanamine
CID 141869089
3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;2-(2,5-dihydro-1H-pyrrol-3-yl)ethanamine;molecular iodine;bis(yttrium)
CID 160314537
3-(1-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
CID 17893616
2-(1-Methanimidoyl-2,5-dihydropyrrol-3-yl)ethanamine
CID 141869090
3-[2-(Methylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 142256089
4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 143657702

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium?
The IUPAC name of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium (CID 59878530) is 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium.
What is the SMILES notation for 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium?
The canonical SMILES for 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium is [H]/N=C(\N)N1CC=C(C[CH-]N)C1.[Y].
What is the InChIKey of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium?
The InChIKey is RLEUVGBAYIVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N4.Y/c8-3-1-6-2-4-11(5-6)7(9)10;/h2-3H,1,4-5,8H2,(H3,9,10);/q-1;.
What are the key properties of 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium?
3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium has a molecular weight of 242.11 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium is sourced from PubChem (CID 59878530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).