benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium

C14H21N3Y-2 — CID 59954316

IUPACbenzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium
SMILES[CH2-]N1CCN(/C(C)=N/C)CC1.[Y].[c-]1ccccc1
InChIInChI=1S/C8H16N3.C6H5.Y/c1-8(9-2)11-6-4-10(3)5-7-11;1-2-4-6-5-3-1;/h3-7H2,1-2H3;1-5H;/q2*-1;/b9-8+;;
InChIKeyDNXMKSLWCJAFCO-YEUQMBKVSA-N
MW320.25 g/mol
LogP1.93
Rot. Bonds

About benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium

benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium (PubChem CID 59954316) has the molecular formula C14H21N3Y-2 and a molecular weight of 320.25 g/mol. Its IUPAC name is benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium.

Molecular Properties

Compound Namebenzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium
PubChem CID59954316
Molecular FormulaC14H21N3Y-2
Molecular Weight320.25 g/mol
Exact Mass320.08
IUPAC Namebenzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium
SMILES[CH2-]N1CCN(/C(C)=N/C)CC1.[Y].[c-]1ccccc1
InChIInChI=1S/C8H16N3.C6H5.Y/c1-8(9-2)11-6-4-10(3)5-7-11;1-2-4-6-5-3-1;/h3-7H2,1-2H3;1-5H;/q2*-1;/b9-8+;;
InChIKeyDNXMKSLWCJAFCO-YEUQMBKVSA-N
XLogP1.93
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium?
The IUPAC name of benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium (CID 59954316) is benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium.
What is the SMILES notation for benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium?
The canonical SMILES for benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium is [CH2-]N1CCN(/C(C)=N/C)CC1.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium?
The InChIKey is DNXMKSLWCJAFCO-YEUQMBKVSA-N. The full InChI is InChI=1S/C8H16N3.C6H5.Y/c1-8(9-2)11-6-4-10(3)5-7-11;1-2-4-6-5-3-1;/h3-7H2,1-2H3;1-5H;/q2*-1;/b9-8+;;.
What are the key properties of benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium?
benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium has a molecular weight of 320.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(4-methanidylpiperazin-1-yl)-N-methylethanimine;yttrium is sourced from PubChem (CID 59954316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).