3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine

C18H43NO4Si2 — CID 123458330

IUPAC3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine
SMILESCCCO[SiH](CCCNCCC[SiH](OCCC)OCCC)OCCC
InChIInChI=1S/C18H43NO4Si2/c1-5-13-20-24(21-14-6-2)17-9-11-19-12-10-18-25(22-15-7-3)23-16-8-4/h19,24-25H,5-18H2,1-4H3
InChIKeyZVFVWYVFIXGMKU-UHFFFAOYSA-N
MW393.72 g/mol
LogP3.50
Rot. Bonds20

About 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine

3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine (PubChem CID 123458330) has the molecular formula C18H43NO4Si2 and a molecular weight of 393.72 g/mol. Its IUPAC name is 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine
PubChem CID123458330
Molecular FormulaC18H43NO4Si2
Molecular Weight393.72 g/mol
Exact Mass393.27
IUPAC Name3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine
SMILESCCCO[SiH](CCCNCCC[SiH](OCCC)OCCC)OCCC
InChIInChI=1S/C18H43NO4Si2/c1-5-13-20-24(21-14-6-2)17-9-11-19-12-10-18-25(22-15-7-3)23-16-8-4/h19,24-25H,5-18H2,1-4H3
InChIKeyZVFVWYVFIXGMKU-UHFFFAOYSA-N
XLogP3.50
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine?
The IUPAC name of 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine (CID 123458330) is 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine?
The canonical SMILES for 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine is CCCO[SiH](CCCNCCC[SiH](OCCC)OCCC)OCCC.
What is the InChIKey of 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine?
The InChIKey is ZVFVWYVFIXGMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43NO4Si2/c1-5-13-20-24(21-14-6-2)17-9-11-19-12-10-18-25(22-15-7-3)23-16-8-4/h19,24-25H,5-18H2,1-4H3.
What are the key properties of 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine?
3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine has a molecular weight of 393.72 g/mol, XLogP of 3.50, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dipropoxysilyl-N-(3-dipropoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 123458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).