(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine

C22H33NOSi — CID 23598346

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NOSi/c1-18(2)16-19(23)17-24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17,23H2,1-5H3/t19-/m0/s1
InChIKeyRTENYFGYQKEQSW-IBGZPJMESA-N
MW355.60 g/mol
LogP3.94
Rot. Bonds7

About (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine

(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine (PubChem CID 23598346) has the molecular formula C22H33NOSi and a molecular weight of 355.60 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine
PubChem CID23598346
Molecular FormulaC22H33NOSi
Molecular Weight355.60 g/mol
Exact Mass355.23
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NOSi/c1-18(2)16-19(23)17-24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17,23H2,1-5H3/t19-/m0/s1
InChIKeyRTENYFGYQKEQSW-IBGZPJMESA-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)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine (CID 23598346) is (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine is CC(C)C[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine?
The InChIKey is RTENYFGYQKEQSW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33NOSi/c1-18(2)16-19(23)17-24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17,23H2,1-5H3/t19-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine?
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-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)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-amine is sourced from PubChem (CID 23598346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).