(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine

C22H33NOSi — CID 23598350

IUPAC(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NOSi/c1-6-18(2)21(23)17-24-25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,6,17,23H2,1-5H3/t18-,21+/m0/s1
InChIKeyDDRDEUZWDUFIEJ-GHTZIAJQSA-N
MW355.60 g/mol
LogP3.94
Rot. Bonds7

About (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine

(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine (PubChem CID 23598350) has the molecular formula C22H33NOSi and a molecular weight of 355.60 g/mol. Its IUPAC name is (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine
PubChem CID23598350
Molecular FormulaC22H33NOSi
Molecular Weight355.60 g/mol
Exact Mass355.23
IUPAC Name(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NOSi/c1-6-18(2)21(23)17-24-25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,6,17,23H2,1-5H3/t18-,21+/m0/s1
InChIKeyDDRDEUZWDUFIEJ-GHTZIAJQSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine?
The IUPAC name of (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine (CID 23598350) is (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine.
What is the SMILES notation for (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine?
The canonical SMILES for (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine is CC[C@H](C)[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine?
The InChIKey is DDRDEUZWDUFIEJ-GHTZIAJQSA-N. The full InChI is InChI=1S/C22H33NOSi/c1-6-18(2)21(23)17-24-25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,6,17,23H2,1-5H3/t18-,21+/m0/s1.
What are the key properties of (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine?
(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine has a molecular weight of 355.60 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylpentan-2-amine is sourced from PubChem (CID 23598350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).