N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine

C13H33NO6Si2 — CID 5066074

IUPACN-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCN(C)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C13H33NO6Si2/c1-14(10-8-12-21(15-2,16-3)17-4)11-9-13-22(18-5,19-6)20-7/h8-13H2,1-7H3
InChIKeyWTXITWGJFPAEIU-UHFFFAOYSA-N
MW355.58 g/mol
LogP1.45
Rot. Bonds14

About N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine

N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine (PubChem CID 5066074) has the molecular formula C13H33NO6Si2 and a molecular weight of 355.58 g/mol. Its IUPAC name is N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
PubChem CID5066074
Molecular FormulaC13H33NO6Si2
Molecular Weight355.58 g/mol
Exact Mass355.18
IUPAC NameN-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCN(C)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C13H33NO6Si2/c1-14(10-8-12-21(15-2,16-3)17-4)11-9-13-22(18-5,19-6)20-7/h8-13H2,1-7H3
InChIKeyWTXITWGJFPAEIU-UHFFFAOYSA-N
XLogP1.45
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 51.45
H-Bond Donors ≤ 50
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 N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine (CID 5066074) is N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine is CO[Si](CCCN(C)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is WTXITWGJFPAEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33NO6Si2/c1-14(10-8-12-21(15-2,16-3)17-4)11-9-13-22(18-5,19-6)20-7/h8-13H2,1-7H3.
What are the key properties of N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 355.58 g/mol, XLogP of 1.45, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 5066074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).