bis(4-methylpiperazin-1-yl)alumanylium;hydride

C10H23AlN4 — CID 22248554

IUPACbis(4-methylpiperazin-1-yl)alumanylium;hydride
SMILESCN1CCN([Al+]N2CCN(C)CC2)CC1.[H-]
InChIInChI=1S/2C5H11N2.Al.H/c2*1-7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+3;-1
InChIKeyXUDXBAZTMZMZEK-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.87
Rot. Bonds2

About bis(4-methylpiperazin-1-yl)alumanylium;hydride

bis(4-methylpiperazin-1-yl)alumanylium;hydride (PubChem CID 22248554) has the molecular formula C10H23AlN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is bis(4-methylpiperazin-1-yl)alumanylium;hydride.

Molecular Properties

Compound Namebis(4-methylpiperazin-1-yl)alumanylium;hydride
PubChem CID22248554
Molecular FormulaC10H23AlN4
Molecular Weight226.30 g/mol
Exact Mass226.17
IUPAC Namebis(4-methylpiperazin-1-yl)alumanylium;hydride
SMILESCN1CCN([Al+]N2CCN(C)CC2)CC1.[H-]
InChIInChI=1S/2C5H11N2.Al.H/c2*1-7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+3;-1
InChIKeyXUDXBAZTMZMZEK-UHFFFAOYSA-N
XLogP-0.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylpiperazin-1-yl)alumanylium;hydride?
The IUPAC name of bis(4-methylpiperazin-1-yl)alumanylium;hydride (CID 22248554) is bis(4-methylpiperazin-1-yl)alumanylium;hydride.
What is the SMILES notation for bis(4-methylpiperazin-1-yl)alumanylium;hydride?
The canonical SMILES for bis(4-methylpiperazin-1-yl)alumanylium;hydride is CN1CCN([Al+]N2CCN(C)CC2)CC1.[H-].
What is the InChIKey of bis(4-methylpiperazin-1-yl)alumanylium;hydride?
The InChIKey is XUDXBAZTMZMZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N2.Al.H/c2*1-7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+3;-1.
What are the key properties of bis(4-methylpiperazin-1-yl)alumanylium;hydride?
bis(4-methylpiperazin-1-yl)alumanylium;hydride has a molecular weight of 226.30 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylpiperazin-1-yl)alumanylium;hydride is sourced from PubChem (CID 22248554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).