(1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol

C21H29NOSi — CID 154603530

IUPAC(1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol
SMILESCN[C@H]1CCC[C@H]1[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-22-20-15-9-14-19(20)21(23)16-24(2,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-23H,9,14-16H2,1-2H3/t19-,20+,21-/m1/s1
InChIKeyVJXMFSUJFIFRHB-QHAWAJNXSA-N
MW339.56 g/mol
LogP2.63
Rot. Bonds6

About (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol

(1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol (PubChem CID 154603530) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol
PubChem CID154603530
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Name(1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol
SMILESCN[C@H]1CCC[C@H]1[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-22-20-15-9-14-19(20)21(23)16-24(2,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-23H,9,14-16H2,1-2H3/t19-,20+,21-/m1/s1
InChIKeyVJXMFSUJFIFRHB-QHAWAJNXSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
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 (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol (CID 154603530) is (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol is CN[C@H]1CCC[C@H]1[C@H](O)C[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol?
The InChIKey is VJXMFSUJFIFRHB-QHAWAJNXSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-22-20-15-9-14-19(20)21(23)16-24(2,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-23H,9,14-16H2,1-2H3/t19-,20+,21-/m1/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol?
(1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol has a molecular weight of 339.56 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-2-(methylamino)cyclopentyl]-2-[methyl(diphenyl)silyl]ethanol is sourced from PubChem (CID 154603530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).