3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine

C13H30N2O3Si — CID 174458398

IUPAC3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
SMILESCCCC1(OC)C(N)(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-5-7-13(16-2)12(15,9-10-14)8-6-11-19(13,17-3)18-4/h5-11,14-15H2,1-4H3
InChIKeyLQORVBGXIVEJIL-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.29
Rot. Bonds7

About 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine

3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine (PubChem CID 174458398) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
PubChem CID174458398
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
SMILESCCCC1(OC)C(N)(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-5-7-13(16-2)12(15,9-10-14)8-6-11-19(13,17-3)18-4/h5-11,14-15H2,1-4H3
InChIKeyLQORVBGXIVEJIL-UHFFFAOYSA-N
XLogP1.29
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.29
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-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
The IUPAC name of 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine (CID 174458398) is 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine.
What is the SMILES notation for 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
The canonical SMILES for 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine is CCCC1(OC)C(N)(CCN)CCC[Si]1(OC)OC.
What is the InChIKey of 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
The InChIKey is LQORVBGXIVEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-5-7-13(16-2)12(15,9-10-14)8-6-11-19(13,17-3)18-4/h5-11,14-15H2,1-4H3.
What are the key properties of 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine has a molecular weight of 290.48 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine is sourced from PubChem (CID 174458398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).