3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine

C18H40N2O6Si2 — CID 66619626

IUPAC3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine
SMILESCC1CO[Si](CCCN)(OCC(C)CO[Si]2(CCCN)OCC(C)CO2)OC1
InChIInChI=1S/C18H40N2O6Si2/c1-16-10-21-27(22-11-16,8-4-6-19)25-14-18(3)15-26-28(9-5-7-20)23-12-17(2)13-24-28/h16-18H,4-15,19-20H2,1-3H3
InChIKeyKWMPJZPLHZUFOF-UHFFFAOYSA-N
MW436.70 g/mol
LogP1.60
Rot. Bonds12

About 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine

3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine (PubChem CID 66619626) has the molecular formula C18H40N2O6Si2 and a molecular weight of 436.70 g/mol. Its IUPAC name is 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine
PubChem CID66619626
Molecular FormulaC18H40N2O6Si2
Molecular Weight436.70 g/mol
Exact Mass436.24
IUPAC Name3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine
SMILESCC1CO[Si](CCCN)(OCC(C)CO[Si]2(CCCN)OCC(C)CO2)OC1
InChIInChI=1S/C18H40N2O6Si2/c1-16-10-21-27(22-11-16,8-4-6-19)25-14-18(3)15-26-28(9-5-7-20)23-12-17(2)13-24-28/h16-18H,4-15,19-20H2,1-3H3
InChIKeyKWMPJZPLHZUFOF-UHFFFAOYSA-N
XLogP1.60
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine?
The IUPAC name of 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine (CID 66619626) is 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine?
The canonical SMILES for 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine is CC1CO[Si](CCCN)(OCC(C)CO[Si]2(CCCN)OCC(C)CO2)OC1.
What is the InChIKey of 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine?
The InChIKey is KWMPJZPLHZUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O6Si2/c1-16-10-21-27(22-11-16,8-4-6-19)25-14-18(3)15-26-28(9-5-7-20)23-12-17(2)13-24-28/h16-18H,4-15,19-20H2,1-3H3.
What are the key properties of 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine?
3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine has a molecular weight of 436.70 g/mol, XLogP of 1.60, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine is sourced from PubChem (CID 66619626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).