N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine

C19H23NOSi — CID 15546563

IUPACN-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine
SMILESC[Si](C)(C)C#CC(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C19H23NOSi/c1-22(2,3)15-14-19(18-12-8-5-9-13-18)20(21)16-17-10-6-4-7-11-17/h4-13,19,21H,16H2,1-3H3
InChIKeyCQBIRXFWWQCWGM-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.50
Rot. Bonds4

About N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine

N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine (PubChem CID 15546563) has the molecular formula C19H23NOSi and a molecular weight of 309.49 g/mol. Its IUPAC name is N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine
PubChem CID15546563
Molecular FormulaC19H23NOSi
Molecular Weight309.49 g/mol
Exact Mass309.15
IUPAC NameN-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine
SMILESC[Si](C)(C)C#CC(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C19H23NOSi/c1-22(2,3)15-14-19(18-12-8-5-9-13-18)20(21)16-17-10-6-4-7-11-17/h4-13,19,21H,16H2,1-3H3
InChIKeyCQBIRXFWWQCWGM-UHFFFAOYSA-N
XLogP4.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Oxifentorex
CID 176171
(1,3-Diphenylprop-2-ynyl)diethylamine
CID 605673
N-benzyl-N-(1,1,1-trifluorohept-2-yn-4-yl)hydroxylamine
CID 102287810
N-benzyl-N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]hydroxylamine
CID 134942132
N-benzyl-N-(1-phenylhept-2-ynyl)hydroxylamine
CID 11197143
N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine
CID 11472317
N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine
CID 11723004
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
CID 14642527
N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
CID 14867116
[(2-Dimethylaminomethyl)-phenyl]dimethyl(phenylethyn-yl)silane
CID 15426428
N-benzyl-N-[3-(4-pentylphenyl)-1-phenylprop-2-ynyl]hydroxylamine
CID 15546562
N-benzyl-N-[4-[(2-methylpropan-2-yl)oxy]-1-phenylbut-2-ynyl]hydroxylamine
CID 15546573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine?
The IUPAC name of N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine (CID 15546563) is N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine is C[Si](C)(C)C#CC(c1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine?
The InChIKey is CQBIRXFWWQCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOSi/c1-22(2,3)15-14-19(18-12-8-5-9-13-18)20(21)16-17-10-6-4-7-11-17/h4-13,19,21H,16H2,1-3H3.
What are the key properties of N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine?
N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine has a molecular weight of 309.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-phenyl-3-trimethylsilylprop-2-ynyl)hydroxylamine is sourced from PubChem (CID 15546563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).