1,1,2-tris(trimethoxysilyl)propan-1-amine

C12H33NO9Si3 — CID 87790807

IUPAC1,1,2-tris(trimethoxysilyl)propan-1-amine
SMILESCO[Si](OC)(OC)C(C)C(N)([Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C12H33NO9Si3/c1-11(23(14-2,15-3)16-4)12(13,24(17-5,18-6)19-7)25(20-8,21-9)22-10/h11H,13H2,1-10H3
InChIKeyRBUIPDUFMJNHMG-UHFFFAOYSA-N
MW419.65 g/mol
LogP-0.21
Rot. Bonds13

About 1,1,2-tris(trimethoxysilyl)propan-1-amine

1,1,2-tris(trimethoxysilyl)propan-1-amine (PubChem CID 87790807) has the molecular formula C12H33NO9Si3 and a molecular weight of 419.65 g/mol. Its IUPAC name is 1,1,2-tris(trimethoxysilyl)propan-1-amine.

Molecular Properties

Compound Name1,1,2-tris(trimethoxysilyl)propan-1-amine
PubChem CID87790807
Molecular FormulaC12H33NO9Si3
Molecular Weight419.65 g/mol
Exact Mass419.15
IUPAC Name1,1,2-tris(trimethoxysilyl)propan-1-amine
SMILESCO[Si](OC)(OC)C(C)C(N)([Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C12H33NO9Si3/c1-11(23(14-2,15-3)16-4)12(13,24(17-5,18-6)19-7)25(20-8,21-9)22-10/h11H,13H2,1-10H3
InChIKeyRBUIPDUFMJNHMG-UHFFFAOYSA-N
XLogP-0.21
TPSA109.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(trimethoxysilyl)propan-1-amine?
The IUPAC name of 1,1,2-tris(trimethoxysilyl)propan-1-amine (CID 87790807) is 1,1,2-tris(trimethoxysilyl)propan-1-amine.
What is the SMILES notation for 1,1,2-tris(trimethoxysilyl)propan-1-amine?
The canonical SMILES for 1,1,2-tris(trimethoxysilyl)propan-1-amine is CO[Si](OC)(OC)C(C)C(N)([Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of 1,1,2-tris(trimethoxysilyl)propan-1-amine?
The InChIKey is RBUIPDUFMJNHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H33NO9Si3/c1-11(23(14-2,15-3)16-4)12(13,24(17-5,18-6)19-7)25(20-8,21-9)22-10/h11H,13H2,1-10H3.
What are the key properties of 1,1,2-tris(trimethoxysilyl)propan-1-amine?
1,1,2-tris(trimethoxysilyl)propan-1-amine has a molecular weight of 419.65 g/mol, XLogP of -0.21, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(trimethoxysilyl)propan-1-amine is sourced from PubChem (CID 87790807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).