1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine

C12H31N3O3Si — CID 87909246

IUPAC1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine
SMILESCCNC(CC[Si](OC)(OC)OC)(NCC)NCC
InChIInChI=1S/C12H31N3O3Si/c1-7-13-12(14-8-2,15-9-3)10-11-19(16-4,17-5)18-6/h13-15H,7-11H2,1-6H3
InChIKeyZHQRFQCZNCYUSX-UHFFFAOYSA-N
MW293.48 g/mol
LogP0.74
Rot. Bonds12

About 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine

1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine (PubChem CID 87909246) has the molecular formula C12H31N3O3Si and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine.

Molecular Properties

Compound Name1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine
PubChem CID87909246
Molecular FormulaC12H31N3O3Si
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC Name1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine
SMILESCCNC(CC[Si](OC)(OC)OC)(NCC)NCC
InChIInChI=1S/C12H31N3O3Si/c1-7-13-12(14-8-2,15-9-3)10-11-19(16-4,17-5)18-6/h13-15H,7-11H2,1-6H3
InChIKeyZHQRFQCZNCYUSX-UHFFFAOYSA-N
XLogP0.74
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine?
The IUPAC name of 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine (CID 87909246) is 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine.
What is the SMILES notation for 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine?
The canonical SMILES for 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine is CCNC(CC[Si](OC)(OC)OC)(NCC)NCC.
What is the InChIKey of 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine?
The InChIKey is ZHQRFQCZNCYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3O3Si/c1-7-13-12(14-8-2,15-9-3)10-11-19(16-4,17-5)18-6/h13-15H,7-11H2,1-6H3.
What are the key properties of 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine?
1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine has a molecular weight of 293.48 g/mol, XLogP of 0.74, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',1-N"-triethyl-3-trimethoxysilylpropane-1,1,1-triamine is sourced from PubChem (CID 87909246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).