1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine

C12H31NO6Si2 — CID 21225578

IUPAC1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
SMILESCCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C12H31NO6Si2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8/h11-13H,9-10H2,1-8H3
InChIKeyMBOQUARANKVDOZ-UHFFFAOYSA-N
MW341.55 g/mol
LogP0.97
Rot. Bonds12

About 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine

1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine (PubChem CID 21225578) has the molecular formula C12H31NO6Si2 and a molecular weight of 341.55 g/mol. Its IUPAC name is 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
PubChem CID21225578
Molecular FormulaC12H31NO6Si2
Molecular Weight341.55 g/mol
Exact Mass341.17
IUPAC Name1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
SMILESCCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C12H31NO6Si2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8/h11-13H,9-10H2,1-8H3
InChIKeyMBOQUARANKVDOZ-UHFFFAOYSA-N
XLogP0.97
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine (CID 21225578) is 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine is CCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is MBOQUARANKVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31NO6Si2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8/h11-13H,9-10H2,1-8H3.
What are the key properties of 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 341.55 g/mol, XLogP of 0.97, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 21225578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).