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

C19H27NOSi — CID 11823158

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine
SMILESCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H27NOSi/c1-19(2,3)22(21-16-15-20-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,20H,15-16H2,1-4H3
InChIKeyVBBGXEOPXOINBE-UHFFFAOYSA-N
MW313.52 g/mol
LogP2.78
Rot. Bonds6

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

2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine (PubChem CID 11823158) has the molecular formula C19H27NOSi and a molecular weight of 313.52 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine
PubChem CID11823158
Molecular FormulaC19H27NOSi
Molecular Weight313.52 g/mol
Exact Mass313.19
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine
SMILESCNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H27NOSi/c1-19(2,3)22(21-16-15-20-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,20H,15-16H2,1-4H3
InChIKeyVBBGXEOPXOINBE-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.52
LogP ≤ 52.78
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-methylethanamine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine (CID 11823158) is 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine is CNCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine?
The InChIKey is VBBGXEOPXOINBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NOSi/c1-19(2,3)22(21-16-15-20-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,20H,15-16H2,1-4H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine?
2-[tert-butyl(diphenyl)silyl]oxy-N-methylethanamine has a molecular weight of 313.52 g/mol, XLogP of 2.78, 6 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-methylethanamine is sourced from PubChem (CID 11823158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).