trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate

C13H28N2O5Si — CID 18977835

IUPACtrimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate
SMILESC=C(C)C(=O)NCCCNCCCO[Si](OC)(OC)OC
InChIInChI=1S/C13H28N2O5Si/c1-12(2)13(16)15-10-6-8-14-9-7-11-20-21(17-3,18-4)19-5/h14H,1,6-11H2,2-5H3,(H,15,16)
InChIKeyCMLVRLUTBNJRCM-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.44
Rot. Bonds13

About trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate

trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate (PubChem CID 18977835) has the molecular formula C13H28N2O5Si and a molecular weight of 320.46 g/mol. Its IUPAC name is trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate.

Molecular Properties

Compound Nametrimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate
PubChem CID18977835
Molecular FormulaC13H28N2O5Si
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Nametrimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate
SMILESC=C(C)C(=O)NCCCNCCCO[Si](OC)(OC)OC
InChIInChI=1S/C13H28N2O5Si/c1-12(2)13(16)15-10-6-8-14-9-7-11-20-21(17-3,18-4)19-5/h14H,1,6-11H2,2-5H3,(H,15,16)
InChIKeyCMLVRLUTBNJRCM-UHFFFAOYSA-N
XLogP0.44
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate?
The IUPAC name of trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate (CID 18977835) is trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate.
What is the SMILES notation for trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate?
The canonical SMILES for trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate is C=C(C)C(=O)NCCCNCCCO[Si](OC)(OC)OC.
What is the InChIKey of trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate?
The InChIKey is CMLVRLUTBNJRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O5Si/c1-12(2)13(16)15-10-6-8-14-9-7-11-20-21(17-3,18-4)19-5/h14H,1,6-11H2,2-5H3,(H,15,16).
What are the key properties of trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate?
trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate has a molecular weight of 320.46 g/mol, XLogP of 0.44, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 3-[3-(2-methylprop-2-enoylamino)propylamino]propyl silicate is sourced from PubChem (CID 18977835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).