2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine

C22H31F3N2OSi — CID 163278673

IUPAC2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F
InChIInChI=1S/C22H31F3N2OSi/c1-21(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-16-15-27(4)20(17-26)22(23,24)25/h5-14,20H,15-17,26H2,1-4H3
InChIKeyLKVAZYYOHGJBQW-UHFFFAOYSA-N
MW424.58 g/mol
LogP3.38
Rot. Bonds8

About 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine

2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (PubChem CID 163278673) has the molecular formula C22H31F3N2OSi and a molecular weight of 424.58 g/mol. Its IUPAC name is 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
PubChem CID163278673
Molecular FormulaC22H31F3N2OSi
Molecular Weight424.58 g/mol
Exact Mass424.22
IUPAC Name2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F
InChIInChI=1S/C22H31F3N2OSi/c1-21(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-16-15-27(4)20(17-26)22(23,24)25/h5-14,20H,15-17,26H2,1-4H3
InChIKeyLKVAZYYOHGJBQW-UHFFFAOYSA-N
XLogP3.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 13615027
CID 13615027
CID 58080128
CID 58080128
CID 58080134
CID 58080134
CID 66723559
CID 66723559
CID 67718389
CID 67718389
CID 68067449
CID 68067449
CID 68294371
CID 68294371
CID 68294741
CID 68294741
CID 144324229
CID 144324229
CID 156893660
CID 156893660
CID 163278252
CID 163278252
CID 163278261
CID 163278261

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (CID 163278673) is 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The InChIKey is LKVAZYYOHGJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2OSi/c1-21(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-16-15-27(4)20(17-26)22(23,24)25/h5-14,20H,15-17,26H2,1-4H3.
What are the key properties of 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine has a molecular weight of 424.58 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 163278673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).