N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine

C19H35NO2Si — CID 14642545

IUPACN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)N(O)[C@@H](C)c1ccccc1
InChIInChI=1S/C19H35NO2Si/c1-15(2)18(14-22-23(7,8)19(4,5)6)20(21)16(3)17-12-10-9-11-13-17/h9-13,15-16,18,21H,14H2,1-8H3/t16-,18+/m0/s1
InChIKeyBMCSOMHUMKOSMW-FUHWJXTLSA-N
MW337.58 g/mol
LogP5.49
Rot. Bonds7

About N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine

N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine (PubChem CID 14642545) has the molecular formula C19H35NO2Si and a molecular weight of 337.58 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
PubChem CID14642545
Molecular FormulaC19H35NO2Si
Molecular Weight337.58 g/mol
Exact Mass337.24
IUPAC NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)N(O)[C@@H](C)c1ccccc1
InChIInChI=1S/C19H35NO2Si/c1-15(2)18(14-22-23(7,8)19(4,5)6)20(21)16(3)17-12-10-9-11-13-17/h9-13,15-16,18,21H,14H2,1-8H3/t16-,18+/m0/s1
InChIKeyBMCSOMHUMKOSMW-FUHWJXTLSA-N
XLogP5.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 15685050
[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243952
[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924653
[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10891631
CID 134854894
CID 134854894
Benzyldimethyl(3-(triethoxysilyl)propyl)ammonium chloride
CID 3020617
(1-Benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 23243949
[(3R,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 10427920
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propan-1-ol
CID 11047291
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propan-1-ol
CID 11101089
[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 11142256
2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol
CID 11425909

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine?
The IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine (CID 14642545) is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine?
The canonical SMILES for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine is CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)N(O)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine?
The InChIKey is BMCSOMHUMKOSMW-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H35NO2Si/c1-15(2)18(14-22-23(7,8)19(4,5)6)20(21)16(3)17-12-10-9-11-13-17/h9-13,15-16,18,21H,14H2,1-8H3/t16-,18+/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine?
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine has a molecular weight of 337.58 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine is sourced from PubChem (CID 14642545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).