(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine

C20H27NOSi — CID 11198151

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine
SMILESC=C[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27NOSi/c1-5-17(21)16-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,17H,1,16,21H2,2-4H3/t17-/m0/s1
InChIKeyWELLKZZTQCRRAG-KRWDZBQOSA-N
MW325.53 g/mol
LogP3.08
Rot. Bonds6

About (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine

(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine (PubChem CID 11198151) has the molecular formula C20H27NOSi and a molecular weight of 325.53 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine
PubChem CID11198151
Molecular FormulaC20H27NOSi
Molecular Weight325.53 g/mol
Exact Mass325.19
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine
SMILESC=C[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27NOSi/c1-5-17(21)16-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,17H,1,16,21H2,2-4H3/t17-/m0/s1
InChIKeyWELLKZZTQCRRAG-KRWDZBQOSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine (CID 11198151) is (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine is C=C[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine?
The InChIKey is WELLKZZTQCRRAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27NOSi/c1-5-17(21)16-22-23(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,17H,1,16,21H2,2-4H3/t17-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine?
(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-amine has a molecular weight of 325.53 g/mol, XLogP of 3.08, 6 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]oxybut-3-en-2-amine is sourced from PubChem (CID 11198151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).