1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium

C12H24N2Y-2 — CID 59044874

IUPAC1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium
SMILESC=C1CN(CC)CC[N-]1.[CH2-]CCCC.[Y]
InChIInChI=1S/C7H13N2.C5H11.Y/c1-3-9-5-4-8-7(2)6-9;1-3-5-4-2;/h2-6H2,1H3;1,3-5H2,2H3;/q2*-1;
InChIKeyIGHJDEBOYSCKRE-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.22
Rot. Bonds3

About 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium

1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium (PubChem CID 59044874) has the molecular formula C12H24N2Y-2 and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium.

Molecular Properties

Compound Name1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium
PubChem CID59044874
Molecular FormulaC12H24N2Y-2
Molecular Weight285.24 g/mol
Exact Mass285.10
IUPAC Name1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium
SMILESC=C1CN(CC)CC[N-]1.[CH2-]CCCC.[Y]
InChIInChI=1S/C7H13N2.C5H11.Y/c1-3-9-5-4-8-7(2)6-9;1-3-5-4-2;/h2-6H2,1H3;1,3-5H2,2H3;/q2*-1;
InChIKeyIGHJDEBOYSCKRE-UHFFFAOYSA-N
XLogP3.22
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium?
The IUPAC name of 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium (CID 59044874) is 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium.
What is the SMILES notation for 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium?
The canonical SMILES for 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium is C=C1CN(CC)CC[N-]1.[CH2-]CCCC.[Y].
What is the InChIKey of 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium?
The InChIKey is IGHJDEBOYSCKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2.C5H11.Y/c1-3-9-5-4-8-7(2)6-9;1-3-5-4-2;/h2-6H2,1H3;1,3-5H2,2H3;/q2*-1;.
What are the key properties of 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium?
1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium has a molecular weight of 285.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylidenepiperazin-4-ide;pentane;yttrium is sourced from PubChem (CID 59044874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).