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

C23H33F3N2OSi — CID 163278261

IUPAC2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCN(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F
InChIInChI=1S/C23H33F3N2OSi/c1-22(2,3)30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-17-11-16-28(4)21(18-27)23(24,25)26/h5-10,12-15,21H,11,16-18,27H2,1-4H3
InChIKeyJPOTXOGPKKQAMD-UHFFFAOYSA-N
MW438.61 g/mol
LogP3.77
Rot. Bonds9

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

2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (PubChem CID 163278261) has the molecular formula C23H33F3N2OSi and a molecular weight of 438.61 g/mol. Its IUPAC name is 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
PubChem CID163278261
Molecular FormulaC23H33F3N2OSi
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCN(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F
InChIInChI=1S/C23H33F3N2OSi/c1-22(2,3)30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-17-11-16-28(4)21(18-27)23(24,25)26/h5-10,12-15,21H,11,16-18,27H2,1-4H3
InChIKeyJPOTXOGPKKQAMD-UHFFFAOYSA-N
XLogP3.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane
CID 58080128
tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane
CID 58080134
3-[Tert-butyl(diphenyl)silyl]oxy-2-fluoropropan-1-amine
CID 59718216
1-(2-{[tert-Butyl(diphenyl)silyl]oxy}-3-fluoropropyl)piperazine
CID 66723559
Tert-butyl-(1-fluoro-3-piperazin-2-ylpropan-2-yl)oxy-diphenylsilane
CID 66728270
1-Fluorobutyl-[(5-methylpiperazin-2-yl)methoxy]-diphenylsilane
CID 67718389
3-((Tert-butyldiphenylsilyl)oxy)-2,2-difluoropropan-1-amine
CID 68067449
3-[Tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluoropropan-2-amine
CID 68294371
CID 144324229
CID 144324229
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine
CID 156893660
1-[3-[Tert-butyl(diphenyl)silyl]oxypropyl]-4-(trifluoromethyl)pyrrolidin-3-amine
CID 163278303
2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 163278673

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (CID 163278261) is 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is CN(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The InChIKey is JPOTXOGPKKQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N2OSi/c1-22(2,3)30(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-17-11-16-28(4)21(18-27)23(24,25)26/h5-10,12-15,21H,11,16-18,27H2,1-4H3.
What are the key properties of 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine has a molecular weight of 438.61 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 163278261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).