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

C20H33NO2Si — CID 101003970

IUPACN-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine
SMILESCC(C)C(C#CCO[Si](C)(C)C(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-17(2)19(21(22)16-18-12-9-8-10-13-18)14-11-15-23-24(6,7)20(3,4)5/h8-10,12-13,17,19,22H,15-16H2,1-7H3
InChIKeyKKTPEBBUVLJWEC-UHFFFAOYSA-N
MW347.58 g/mol
LogP4.93
Rot. Bonds6

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

N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine (PubChem CID 101003970) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine
PubChem CID101003970
Molecular FormulaC20H33NO2Si
Molecular Weight347.58 g/mol
Exact Mass347.23
IUPAC NameN-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine
SMILESCC(C)C(C#CCO[Si](C)(C)C(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-17(2)19(21(22)16-18-12-9-8-10-13-18)14-11-15-23-24(6,7)20(3,4)5/h8-10,12-13,17,19,22H,15-16H2,1-7H3
InChIKeyKKTPEBBUVLJWEC-UHFFFAOYSA-N
XLogP4.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.93
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
[(3R,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 15685050
[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924653
(3S,4S)-4-[benzyl(trimethylsilylmethyl)amino]-1-trimethylsilylpent-1-yn-3-ol
CID 134930871
Benzyldimethyl(3-(triethoxysilyl)propyl)ammonium chloride
CID 3020617
[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 11142256
N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine
CID 11165257
(E)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-ynylpent-2-en-1-amine
CID 14359847
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
CID 14642545
N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
CID 14867117
N-benzyl-2-methyl-N-trimethylsilyloxyhex-5-en-3-amine
CID 14867119
Ethyl 4-[benzyl(hydroxy)amino]-5-methylhex-2-ynoate
CID 15339216

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine?
The IUPAC name of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine (CID 101003970) is N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine is CC(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-methylhex-4-yn-3-yl]hydroxylamine?
The InChIKey is KKTPEBBUVLJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-17(2)19(21(22)16-18-12-9-8-10-13-18)14-11-15-23-24(6,7)20(3,4)5/h8-10,12-13,17,19,22H,15-16H2,1-7H3.
What are the key properties of N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine?
N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine has a molecular weight of 347.58 g/mol, XLogP of 4.93, 6 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-methylhex-4-yn-3-yl]hydroxylamine is sourced from PubChem (CID 101003970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).