3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one

C26H34N2O2Si — CID 164570997

IUPAC3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one
SMILESCC(C)(C)[Si](OCCCn1cccc(CCN)c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O2Si/c1-26(2,3)31(23-13-6-4-7-14-23,24-15-8-5-9-16-24)30-21-11-20-28-19-10-12-22(17-18-27)25(28)29/h4-10,12-16,19H,11,17-18,20-21,27H2,1-3H3
InChIKeyTXVVFSLTERZXRG-UHFFFAOYSA-N
MW434.66 g/mol
LogP3.32
Rot. Bonds9

About 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one

3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one (PubChem CID 164570997) has the molecular formula C26H34N2O2Si and a molecular weight of 434.66 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one
PubChem CID164570997
Molecular FormulaC26H34N2O2Si
Molecular Weight434.66 g/mol
Exact Mass434.24
IUPAC Name3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one
SMILESCC(C)(C)[Si](OCCCn1cccc(CCN)c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O2Si/c1-26(2,3)31(23-13-6-4-7-14-23,24-15-8-5-9-16-24)30-21-11-20-28-19-10-12-22(17-18-27)25(28)29/h4-10,12-16,19H,11,17-18,20-21,27H2,1-3H3
InChIKeyTXVVFSLTERZXRG-UHFFFAOYSA-N
XLogP3.32
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.66
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one?
The IUPAC name of 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one (CID 164570997) is 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one is CC(C)(C)[Si](OCCCn1cccc(CCN)c1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one?
The InChIKey is TXVVFSLTERZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2Si/c1-26(2,3)31(23-13-6-4-7-14-23,24-15-8-5-9-16-24)30-21-11-20-28-19-10-12-22(17-18-27)25(28)29/h4-10,12-16,19H,11,17-18,20-21,27H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one?
3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one has a molecular weight of 434.66 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyridin-2-one is sourced from PubChem (CID 164570997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).