dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)

C9H21N2SiTi — CID 20687657

IUPACdimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)
SMILESCN1CC[N-]CC1.[CH2-][Si]([CH2-])(C)C.[Ti+3]
InChIInChI=1S/C5H11N2.C4H10Si.Ti/c1-7-4-2-6-3-5-7;1-5(2,3)4;/h2-5H2,1H3;1-2H2,3-4H3;/q-1;-2;+3
InChIKeyPAIMIRJQPRLWDD-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.74
Rot. Bonds

About dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)

dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+) (PubChem CID 20687657) has the molecular formula C9H21N2SiTi and a molecular weight of 233.23 g/mol. Its IUPAC name is dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+).

Molecular Properties

Compound Namedimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)
PubChem CID20687657
Molecular FormulaC9H21N2SiTi
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Namedimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)
SMILESCN1CC[N-]CC1.[CH2-][Si]([CH2-])(C)C.[Ti+3]
InChIInChI=1S/C5H11N2.C4H10Si.Ti/c1-7-4-2-6-3-5-7;1-5(2,3)4;/h2-5H2,1H3;1-2H2,3-4H3;/q-1;-2;+3
InChIKeyPAIMIRJQPRLWDD-UHFFFAOYSA-N
XLogP1.74
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)?
The IUPAC name of dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+) (CID 20687657) is dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+).
What is the SMILES notation for dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)?
The canonical SMILES for dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+) is CN1CC[N-]CC1.[CH2-][Si]([CH2-])(C)C.[Ti+3].
What is the InChIKey of dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)?
The InChIKey is PAIMIRJQPRLWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2.C4H10Si.Ti/c1-7-4-2-6-3-5-7;1-5(2,3)4;/h2-5H2,1H3;1-2H2,3-4H3;/q-1;-2;+3.
What are the key properties of dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)?
dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+) has a molecular weight of 233.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+) is sourced from PubChem (CID 20687657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).