2-butylhexyl-dimethyl-pyridin-2-ylsilane

C17H31NSi — CID 45117487

IUPAC2-butylhexyl-dimethyl-pyridin-2-ylsilane
SMILESCCCCC(CCCC)C[Si](C)(C)c1ccccn1
InChIInChI=1S/C17H31NSi/c1-5-7-11-16(12-8-6-2)15-19(3,4)17-13-9-10-14-18-17/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3
InChIKeyBJOFTXJFMWFMHS-UHFFFAOYSA-N
MW277.53 g/mol
LogP4.99
Rot. Bonds9

About 2-butylhexyl-dimethyl-pyridin-2-ylsilane

2-butylhexyl-dimethyl-pyridin-2-ylsilane (PubChem CID 45117487) has the molecular formula C17H31NSi and a molecular weight of 277.53 g/mol. Its IUPAC name is 2-butylhexyl-dimethyl-pyridin-2-ylsilane.

Molecular Properties

Compound Name2-butylhexyl-dimethyl-pyridin-2-ylsilane
PubChem CID45117487
Molecular FormulaC17H31NSi
Molecular Weight277.53 g/mol
Exact Mass277.22
IUPAC Name2-butylhexyl-dimethyl-pyridin-2-ylsilane
SMILESCCCCC(CCCC)C[Si](C)(C)c1ccccn1
InChIInChI=1S/C17H31NSi/c1-5-7-11-16(12-8-6-2)15-19(3,4)17-13-9-10-14-18-17/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3
InChIKeyBJOFTXJFMWFMHS-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-butylhexyl-dimethyl-pyridin-2-ylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-pyridin-2-yl-(2-trimethylsilylethyl)silane
CID 11020927
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759
dimethyl(dipyridin-2-yl)silane
CID 11731921
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
2-tridecan-6-ylpyridine
CID 139295924
pyridine-2-carboxylic acid;tetrabutylphosphanium
CID 160817396
CID 100979280
CID 100979280
3-pyridin-2-ylheptanenitrile
CID 70542151
2-(pyridin-2-ylmethyl)heptanenitrile
CID 67860506
2-decan-4-ylpyridine
CID 67882797
butyl(pyridin-2-ylmethyl)azanium
CID 40508011

Frequently Asked Questions

What is the IUPAC name of 2-butylhexyl-dimethyl-pyridin-2-ylsilane?
The IUPAC name of 2-butylhexyl-dimethyl-pyridin-2-ylsilane (CID 45117487) is 2-butylhexyl-dimethyl-pyridin-2-ylsilane.
What is the SMILES notation for 2-butylhexyl-dimethyl-pyridin-2-ylsilane?
The canonical SMILES for 2-butylhexyl-dimethyl-pyridin-2-ylsilane is CCCCC(CCCC)C[Si](C)(C)c1ccccn1.
What is the InChIKey of 2-butylhexyl-dimethyl-pyridin-2-ylsilane?
The InChIKey is BJOFTXJFMWFMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NSi/c1-5-7-11-16(12-8-6-2)15-19(3,4)17-13-9-10-14-18-17/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3.
What are the key properties of 2-butylhexyl-dimethyl-pyridin-2-ylsilane?
2-butylhexyl-dimethyl-pyridin-2-ylsilane has a molecular weight of 277.53 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylhexyl-dimethyl-pyridin-2-ylsilane is sourced from PubChem (CID 45117487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).