2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium

C9H25N2O3Si+ — CID 58037068

IUPAC2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium
SMILESCN(C)CC[N+](C)(C)CCC[Si](O)(O)O
InChIInChI=1S/C9H25N2O3Si/c1-10(2)6-8-11(3,4)7-5-9-15(12,13)14/h12-14H,5-9H2,1-4H3/q+1
InChIKeyYSCXGXCTZMFHAW-UHFFFAOYSA-N
MW237.40 g/mol
LogP-1.07
Rot. Bonds7

About 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium

2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium (PubChem CID 58037068) has the molecular formula C9H25N2O3Si+ and a molecular weight of 237.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium
PubChem CID58037068
Molecular FormulaC9H25N2O3Si+
Molecular Weight237.40 g/mol
Exact Mass237.16
IUPAC Name2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium
SMILESCN(C)CC[N+](C)(C)CCC[Si](O)(O)O
InChIInChI=1S/C9H25N2O3Si/c1-10(2)6-8-11(3,4)7-5-9-15(12,13)14/h12-14H,5-9H2,1-4H3/q+1
InChIKeyYSCXGXCTZMFHAW-UHFFFAOYSA-N
XLogP-1.07
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.40
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium?
The IUPAC name of 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium (CID 58037068) is 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium?
The canonical SMILES for 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium is CN(C)CC[N+](C)(C)CCC[Si](O)(O)O.
What is the InChIKey of 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium?
The InChIKey is YSCXGXCTZMFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H25N2O3Si/c1-10(2)6-8-11(3,4)7-5-9-15(12,13)14/h12-14H,5-9H2,1-4H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium?
2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium has a molecular weight of 237.40 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-dimethyl-(3-trihydroxysilylpropyl)azanium is sourced from PubChem (CID 58037068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).