N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine

C21H35NO2Si — CID 102461678

IUPACN-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine
SMILESCC(C)(C)C(C#CCO[Si](C)(C)C(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C21H35NO2Si/c1-20(2,3)19(22(23)17-18-13-10-9-11-14-18)15-12-16-24-25(7,8)21(4,5)6/h9-11,13-14,19,23H,16-17H2,1-8H3
InChIKeyZMDBAQHTQUTCMA-UHFFFAOYSA-N
MW361.60 g/mol
LogP5.32
Rot. Bonds5

About N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine

N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine (PubChem CID 102461678) has the molecular formula C21H35NO2Si and a molecular weight of 361.60 g/mol. Its IUPAC name is N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine
PubChem CID102461678
Molecular FormulaC21H35NO2Si
Molecular Weight361.60 g/mol
Exact Mass361.24
IUPAC NameN-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine
SMILESCC(C)(C)C(C#CCO[Si](C)(C)C(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C21H35NO2Si/c1-20(2,3)19(22(23)17-18-13-10-9-11-14-18)15-12-16-24-25(7,8)21(4,5)6/h9-11,13-14,19,23H,16-17H2,1-8H3
InChIKeyZMDBAQHTQUTCMA-UHFFFAOYSA-N
XLogP5.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.60
LogP ≤ 55.32
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-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine
CID 15546563
Benzyldimethyl(3-(triethoxysilyl)propyl)ammonium chloride
CID 3020617
[(3R,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 10427920
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
CID 14642545
N-benzyl-2-methyl-N-trimethylsilyloxyhex-5-en-3-amine
CID 14867119
N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-ethylpropan-1-amine
CID 44220650
N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine
CID 101003970
N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine
CID 101462792
N-benzyl-N-dec-3-yn-2-ylhydroxylamine
CID 101777738
N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine
CID 102461681
(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461683
(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461684

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine?
The IUPAC name of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine (CID 102461678) is N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine is CC(C)(C)C(C#CCO[Si](C)(C)C(C)(C)C)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine?
The InChIKey is ZMDBAQHTQUTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2Si/c1-20(2,3)19(22(23)17-18-13-10-9-11-14-18)15-12-16-24-25(7,8)21(4,5)6/h9-11,13-14,19,23H,16-17H2,1-8H3.
What are the key properties of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine?
N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine has a molecular weight of 361.60 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine is sourced from PubChem (CID 102461678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).