(2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol

C16H29NO2Si — CID 11770896

IUPAC(2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CO)NCc1ccccc1
InChIInChI=1S/C16H29NO2Si/c1-16(2,3)20(4,5)19-13-15(12-18)17-11-14-9-7-6-8-10-14/h6-10,15,17-18H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyKAIKNAIPHKNQDY-HNNXBMFYSA-N
MW295.50 g/mol
LogP3.16
Rot. Bonds7

About (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol

(2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol (PubChem CID 11770896) has the molecular formula C16H29NO2Si and a molecular weight of 295.50 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
PubChem CID11770896
Molecular FormulaC16H29NO2Si
Molecular Weight295.50 g/mol
Exact Mass295.20
IUPAC Name(2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CO)NCc1ccccc1
InChIInChI=1S/C16H29NO2Si/c1-16(2,3)20(4,5)19-13-15(12-18)17-11-14-9-7-6-8-10-14/h6-10,15,17-18H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyKAIKNAIPHKNQDY-HNNXBMFYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The IUPAC name of (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol (CID 11770896) is (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.
What is the SMILES notation for (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The canonical SMILES for (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol is CC(C)(C)[Si](C)(C)OC[C@H](CO)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The InChIKey is KAIKNAIPHKNQDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29NO2Si/c1-16(2,3)20(4,5)19-13-15(12-18)17-11-14-9-7-6-8-10-14/h6-10,15,17-18H,11-13H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
(2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol has a molecular weight of 295.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol is sourced from PubChem (CID 11770896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).