2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine

C20H29NOSi — CID 58080159

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine
SMILESCCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H29NOSi/c1-5-21-16-17-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3
InChIKeyWRTUCUZWRQVVJX-UHFFFAOYSA-N
MW327.54 g/mol
LogP3.17
Rot. Bonds7

About 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine

2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine (PubChem CID 58080159) has the molecular formula C20H29NOSi and a molecular weight of 327.54 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine
PubChem CID58080159
Molecular FormulaC20H29NOSi
Molecular Weight327.54 g/mol
Exact Mass327.20
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine
SMILESCCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H29NOSi/c1-5-21-16-17-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3
InChIKeyWRTUCUZWRQVVJX-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine (CID 58080159) is 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine is CCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine?
The InChIKey is WRTUCUZWRQVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-5-21-16-17-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine?
2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine has a molecular weight of 327.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-N-ethylethanamine is sourced from PubChem (CID 58080159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).