3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium

C12H31N2O5Si+ — CID 177124320

IUPAC3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCC[Si](O)(O)OCC(N)(CO)CO
InChIInChI=1S/C12H31N2O5Si/c1-4-6-14(2,3)7-5-8-20(17,18)19-11-12(13,9-15)10-16/h15-18H,4-11,13H2,1-3H3/q+1
InChIKeyQUYDXALPZWLNQO-UHFFFAOYSA-N
MW311.48 g/mol
LogP-1.51
Rot. Bonds11

About 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium

3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium (PubChem CID 177124320) has the molecular formula C12H31N2O5Si+ and a molecular weight of 311.48 g/mol. Its IUPAC name is 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium.

Molecular Properties

Compound Name3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium
PubChem CID177124320
Molecular FormulaC12H31N2O5Si+
Molecular Weight311.48 g/mol
Exact Mass311.20
IUPAC Name3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CCC[Si](O)(O)OCC(N)(CO)CO
InChIInChI=1S/C12H31N2O5Si/c1-4-6-14(2,3)7-5-8-20(17,18)19-11-12(13,9-15)10-16/h15-18H,4-11,13H2,1-3H3/q+1
InChIKeyQUYDXALPZWLNQO-UHFFFAOYSA-N
XLogP-1.51
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium?
The IUPAC name of 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium (CID 177124320) is 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium.
What is the SMILES notation for 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium?
The canonical SMILES for 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium is CCC[N+](C)(C)CCC[Si](O)(O)OCC(N)(CO)CO.
What is the InChIKey of 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium?
The InChIKey is QUYDXALPZWLNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N2O5Si/c1-4-6-14(2,3)7-5-8-20(17,18)19-11-12(13,9-15)10-16/h15-18H,4-11,13H2,1-3H3/q+1.
What are the key properties of 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium?
3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium has a molecular weight of 311.48 g/mol, XLogP of -1.51, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-dihydroxysilyl]propyl-dimethyl-propylazanium is sourced from PubChem (CID 177124320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).