3-(trimethylsilylmethylamino)hex-5-ynenitrile

C10H18N2Si — CID 87356338

IUPAC3-(trimethylsilylmethylamino)hex-5-ynenitrile
SMILESC#CCC(CC#N)NC[Si](C)(C)C
InChIInChI=1S/C10H18N2Si/c1-5-6-10(7-8-11)12-9-13(2,3)4/h1,10,12H,6-7,9H2,2-4H3
InChIKeyUZDGSEYGWFMMJU-UHFFFAOYSA-N
MW194.35 g/mol
LogP1.76
Rot. Bonds5

About 3-(trimethylsilylmethylamino)hex-5-ynenitrile

3-(trimethylsilylmethylamino)hex-5-ynenitrile (PubChem CID 87356338) has the molecular formula C10H18N2Si and a molecular weight of 194.35 g/mol. Its IUPAC name is 3-(trimethylsilylmethylamino)hex-5-ynenitrile.

Molecular Properties

Compound Name3-(trimethylsilylmethylamino)hex-5-ynenitrile
PubChem CID87356338
Molecular FormulaC10H18N2Si
Molecular Weight194.35 g/mol
Exact Mass194.12
IUPAC Name3-(trimethylsilylmethylamino)hex-5-ynenitrile
SMILESC#CCC(CC#N)NC[Si](C)(C)C
InChIInChI=1S/C10H18N2Si/c1-5-6-10(7-8-11)12-9-13(2,3)4/h1,10,12H,6-7,9H2,2-4H3
InChIKeyUZDGSEYGWFMMJU-UHFFFAOYSA-N
XLogP1.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(trimethylsilylmethylamino)hex-5-ynenitrile?
The IUPAC name of 3-(trimethylsilylmethylamino)hex-5-ynenitrile (CID 87356338) is 3-(trimethylsilylmethylamino)hex-5-ynenitrile.
What is the SMILES notation for 3-(trimethylsilylmethylamino)hex-5-ynenitrile?
The canonical SMILES for 3-(trimethylsilylmethylamino)hex-5-ynenitrile is C#CCC(CC#N)NC[Si](C)(C)C.
What is the InChIKey of 3-(trimethylsilylmethylamino)hex-5-ynenitrile?
The InChIKey is UZDGSEYGWFMMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2Si/c1-5-6-10(7-8-11)12-9-13(2,3)4/h1,10,12H,6-7,9H2,2-4H3.
What are the key properties of 3-(trimethylsilylmethylamino)hex-5-ynenitrile?
3-(trimethylsilylmethylamino)hex-5-ynenitrile has a molecular weight of 194.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethylsilylmethylamino)hex-5-ynenitrile is sourced from PubChem (CID 87356338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).