N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine

C19H31NOSi — CID 101462792

IUPACN-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine
SMILESCCCCCCC(C#C[Si](C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C19H31NOSi/c1-5-6-7-11-14-19(15-16-22(2,3)4)20(21)17-18-12-9-8-10-13-18/h8-10,12-13,19,21H,5-7,11,14,17H2,1-4H3
InChIKeyHQDCXVOFEVHVIO-UHFFFAOYSA-N
MW317.55 g/mol
LogP5.10
Rot. Bonds8

About N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine

N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine (PubChem CID 101462792) has the molecular formula C19H31NOSi and a molecular weight of 317.55 g/mol. Its IUPAC name is N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine
PubChem CID101462792
Molecular FormulaC19H31NOSi
Molecular Weight317.55 g/mol
Exact Mass317.22
IUPAC NameN-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine
SMILESCCCCCCC(C#C[Si](C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C19H31NOSi/c1-5-6-7-11-14-19(15-16-22(2,3)4)20(21)17-18-12-9-8-10-13-18/h8-10,12-13,19,21H,5-7,11,14,17H2,1-4H3
InChIKeyHQDCXVOFEVHVIO-UHFFFAOYSA-N
XLogP5.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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N,N-dibenzyl-3-trimethylsilylprop-2-yn-1-amine
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N-benzyl-2-methylidene-N-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-amine
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N-ethyl-N-(1-phenylpropan-2-yl)hydroxylamine
CID 12225838
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]hydroxylamine
CID 14642527
N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
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[(2-Dimethylaminomethyl)-phenyl]dimethyl(phenylethyn-yl)silane
CID 15426428

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine (CID 101462792) is N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine is CCCCCCC(C#C[Si](C)(C)C)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine?
The InChIKey is HQDCXVOFEVHVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOSi/c1-5-6-7-11-14-19(15-16-22(2,3)4)20(21)17-18-12-9-8-10-13-18/h8-10,12-13,19,21H,5-7,11,14,17H2,1-4H3.
What are the key properties of N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine?
N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine has a molecular weight of 317.55 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-trimethylsilylnon-1-yn-3-yl)hydroxylamine is sourced from PubChem (CID 101462792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).