3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium

C9H17N4Y- — CID 59878518

IUPAC3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
SMILES[H]/N=C(\N)N1CC=C(C[CH-]N(C)C)C1.[Y]
InChIInChI=1S/C9H17N4.Y/c1-12(2)5-3-8-4-6-13(7-8)9(10)11;/h4-5H,3,6-7H2,1-2H3,(H3,10,11);/q-1;
InChIKeyXBGNDHYKMXOBOW-UHFFFAOYSA-N
MW270.17 g/mol
LogP0.23
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium

3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium (PubChem CID 59878518) has the molecular formula C9H17N4Y- and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
PubChem CID59878518
Molecular FormulaC9H17N4Y-
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
SMILES[H]/N=C(\N)N1CC=C(C[CH-]N(C)C)C1.[Y]
InChIInChI=1S/C9H17N4.Y/c1-12(2)5-3-8-4-6-13(7-8)9(10)11;/h4-5H,3,6-7H2,1-2H3,(H3,10,11);/q-1;
InChIKeyXBGNDHYKMXOBOW-UHFFFAOYSA-N
XLogP0.23
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
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
CID 59878519
3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878530
[2-(1-Carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylamino]methylidyneoxidanium
CID 90763509
1-[(2E,4Z)-2,4-dimethylhexa-2,4-dienyl]-1-propylguanidine
CID 139324978
Methanamine;2-(1-methanimidoyl-2,5-dihydropyrrol-3-yl)ethanamine
CID 141869089
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 143657701
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-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 120190272
2-methyl-1-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]guanidine
CID 131209561
3-[2-(Methylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 142256089

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium (CID 59878518) is 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium is [H]/N=C(\N)N1CC=C(C[CH-]N(C)C)C1.[Y].
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium?
The InChIKey is XBGNDHYKMXOBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N4.Y/c1-12(2)5-3-8-4-6-13(7-8)9(10)11;/h4-5H,3,6-7H2,1-2H3,(H3,10,11);/q-1;.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium?
3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium has a molecular weight of 270.17 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium is sourced from PubChem (CID 59878518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).