1-[methyl(diphenyl)silyl]but-3-yn-1-amine

C17H19NSi — CID 122403264

IUPAC1-[methyl(diphenyl)silyl]but-3-yn-1-amine
SMILESC#CCC(N)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NSi/c1-3-10-17(18)19(2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h1,4-9,11-14,17H,10,18H2,2H3
InChIKeyVUIFCKFWAOIUID-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.77
Rot. Bonds4

About 1-[methyl(diphenyl)silyl]but-3-yn-1-amine

1-[methyl(diphenyl)silyl]but-3-yn-1-amine (PubChem CID 122403264) has the molecular formula C17H19NSi and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[methyl(diphenyl)silyl]but-3-yn-1-amine.

Molecular Properties

Compound Name1-[methyl(diphenyl)silyl]but-3-yn-1-amine
PubChem CID122403264
Molecular FormulaC17H19NSi
Molecular Weight265.43 g/mol
Exact Mass265.13
IUPAC Name1-[methyl(diphenyl)silyl]but-3-yn-1-amine
SMILESC#CCC(N)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NSi/c1-3-10-17(18)19(2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h1,4-9,11-14,17H,10,18H2,2H3
InChIKeyVUIFCKFWAOIUID-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(diphenyl)silyl]but-3-yn-1-amine?
The IUPAC name of 1-[methyl(diphenyl)silyl]but-3-yn-1-amine (CID 122403264) is 1-[methyl(diphenyl)silyl]but-3-yn-1-amine.
What is the SMILES notation for 1-[methyl(diphenyl)silyl]but-3-yn-1-amine?
The canonical SMILES for 1-[methyl(diphenyl)silyl]but-3-yn-1-amine is C#CCC(N)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[methyl(diphenyl)silyl]but-3-yn-1-amine?
The InChIKey is VUIFCKFWAOIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NSi/c1-3-10-17(18)19(2,15-11-6-4-7-12-15)16-13-8-5-9-14-16/h1,4-9,11-14,17H,10,18H2,2H3.
What are the key properties of 1-[methyl(diphenyl)silyl]but-3-yn-1-amine?
1-[methyl(diphenyl)silyl]but-3-yn-1-amine has a molecular weight of 265.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(diphenyl)silyl]but-3-yn-1-amine is sourced from PubChem (CID 122403264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).