3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine

C13H30N2O3Si — CID 174274740

IUPAC3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
SMILESCOC1(CCCN)C(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-16-13(8-5-9-14)12(7-10-15)6-4-11-19(13,17-2)18-3/h12H,4-11,14-15H2,1-3H3
InChIKeyWULORQMEMMESCZ-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.14
Rot. Bonds8

About 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine

3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine (PubChem CID 174274740) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
PubChem CID174274740
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
SMILESCOC1(CCCN)C(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-16-13(8-5-9-14)12(7-10-15)6-4-11-19(13,17-2)18-3/h12H,4-11,14-15H2,1-3H3
InChIKeyWULORQMEMMESCZ-UHFFFAOYSA-N
XLogP1.14
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine (CID 174274740) is 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine is COC1(CCCN)C(CCN)CCC[Si]1(OC)OC.
What is the InChIKey of 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
The InChIKey is WULORQMEMMESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-16-13(8-5-9-14)12(7-10-15)6-4-11-19(13,17-2)18-3/h12H,4-11,14-15H2,1-3H3.
What are the key properties of 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine has a molecular weight of 290.48 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine is sourced from PubChem (CID 174274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).