[1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium

C16H33N2Si+ — CID 102417244

IUPAC[1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium
SMILESCC(C)[Si](C#CC(N(C)C)=[N+](C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33N2Si/c1-13(2)19(14(3)4,15(5)6)12-11-16(17(7)8)18(9)10/h13-15H,1-10H3/q+1
InChIKeyBQPWTZXRNZAMQH-UHFFFAOYSA-N
MW281.54 g/mol
LogP3.44
Rot. Bonds3

About [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium

[1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium (PubChem CID 102417244) has the molecular formula C16H33N2Si+ and a molecular weight of 281.54 g/mol. Its IUPAC name is [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium.

Molecular Properties

Compound Name[1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium
PubChem CID102417244
Molecular FormulaC16H33N2Si+
Molecular Weight281.54 g/mol
Exact Mass281.24
IUPAC Name[1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium
SMILESCC(C)[Si](C#CC(N(C)C)=[N+](C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33N2Si/c1-13(2)19(14(3)4,15(5)6)12-11-16(17(7)8)18(9)10/h13-15H,1-10H3/q+1
InChIKeyBQPWTZXRNZAMQH-UHFFFAOYSA-N
XLogP3.44
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(Dimethylamino)-3-trimethylsilylprop-2-ynylidene]-dimethylazanium
CID 102417243
[1-(Dimethylamino)-3-triethylsilylprop-2-ynylidene]-dimethylazanium
CID 51002915

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium?
The IUPAC name of [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium (CID 102417244) is [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium.
What is the SMILES notation for [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium?
The canonical SMILES for [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium is CC(C)[Si](C#CC(N(C)C)=[N+](C)C)(C(C)C)C(C)C.
What is the InChIKey of [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium?
The InChIKey is BQPWTZXRNZAMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N2Si/c1-13(2)19(14(3)4,15(5)6)12-11-16(17(7)8)18(9)10/h13-15H,1-10H3/q+1.
What are the key properties of [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium?
[1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium has a molecular weight of 281.54 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-tri(propan-2-yl)silylprop-2-ynylidene]-dimethylazanium is sourced from PubChem (CID 102417244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).