[2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine

C14H32N2O6Si2 — CID 66619595

IUPAC[2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine
SMILESCC1CO[Si](CN)(OCC(C)CO[Si]2(CN)OCC(C)CO2)OC1
InChIInChI=1S/C14H32N2O6Si2/c1-12-4-17-23(10-15,18-5-12)21-8-14(3)9-22-24(11-16)19-6-13(2)7-20-24/h12-14H,4-11,15-16H2,1-3H3
InChIKeyHRKMKNGAOINFCM-UHFFFAOYSA-N
MW380.59 g/mol
LogP-0.10
Rot. Bonds8

About [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine

[2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine (PubChem CID 66619595) has the molecular formula C14H32N2O6Si2 and a molecular weight of 380.59 g/mol. Its IUPAC name is [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine
PubChem CID66619595
Molecular FormulaC14H32N2O6Si2
Molecular Weight380.59 g/mol
Exact Mass380.18
IUPAC Name[2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine
SMILESCC1CO[Si](CN)(OCC(C)CO[Si]2(CN)OCC(C)CO2)OC1
InChIInChI=1S/C14H32N2O6Si2/c1-12-4-17-23(10-15,18-5-12)21-8-14(3)9-22-24(11-16)19-6-13(2)7-20-24/h12-14H,4-11,15-16H2,1-3H3
InChIKeyHRKMKNGAOINFCM-UHFFFAOYSA-N
XLogP-0.10
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 5-0.10
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 [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine?
The IUPAC name of [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine (CID 66619595) is [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine.
What is the SMILES notation for [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine?
The canonical SMILES for [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine is CC1CO[Si](CN)(OCC(C)CO[Si]2(CN)OCC(C)CO2)OC1.
What is the InChIKey of [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine?
The InChIKey is HRKMKNGAOINFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O6Si2/c1-12-4-17-23(10-15,18-5-12)21-8-14(3)9-22-24(11-16)19-6-13(2)7-20-24/h12-14H,4-11,15-16H2,1-3H3.
What are the key properties of [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine?
[2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine has a molecular weight of 380.59 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[[2-(aminomethyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]methanamine is sourced from PubChem (CID 66619595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).