N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine

C23H31NO2Si — CID 102461681

IUPACN-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCC#CC(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)26-18-12-17-22(21-15-10-7-11-16-21)24(25)19-20-13-8-6-9-14-20/h6-11,13-16,22,25H,18-19H2,1-5H3
InChIKeyAHQBWNUEZKTEBW-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.64
Rot. Bonds6

About N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine

N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine (PubChem CID 102461681) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine
PubChem CID102461681
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC NameN-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCC#CC(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)26-18-12-17-22(21-15-10-7-11-16-21)24(25)19-20-13-8-6-9-14-20/h6-11,13-16,22,25H,18-19H2,1-5H3
InChIKeyAHQBWNUEZKTEBW-UHFFFAOYSA-N
XLogP5.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.64
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine
CID 11197143
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
CID 14642527
N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
CID 14867116
N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine
CID 15546563
N-benzyl-N-(4,4-diethoxy-1-phenylbut-2-ynyl)hydroxylamine
CID 15546565
N-benzyl-N-[4-[(2-methylpropan-2-yl)oxy]-1-phenylbut-2-ynyl]hydroxylamine
CID 15546573
(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700
N-ethoxy-N-ethyl-1-(4-fluorophenyl)-2-phenylethanamine
CID 88426665
N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 68501499
(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
Tert-butyl-dimethyl-(4-morpholin-4-yl-4-phenylbut-2-ynoxy)silane
CID 11233266

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine (CID 102461681) is N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine is CC(C)(C)[Si](C)(C)OCC#CC(c1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine?
The InChIKey is AHQBWNUEZKTEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)26-18-12-17-22(21-15-10-7-11-16-21)24(25)19-20-13-8-6-9-14-20/h6-11,13-16,22,25H,18-19H2,1-5H3.
What are the key properties of N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine?
N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine has a molecular weight of 381.59 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine is sourced from PubChem (CID 102461681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).