2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine

C22H30NSi — CID 91866934

IUPAC—
SMILESCC[C@@H]1c2ccccc2CC[C@H]1[Si](Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C22H30NSi/c1-5-19-20-12-7-6-10-17(20)13-14-21(19)24(22(2,3)4)16-18-11-8-9-15-23-18/h6-12,15,19,21H,5,13-14,16H2,1-4H3/t19-,21-/m1/s1
InChIKeyUJEVZIYIKJVCTJ-TZIWHRDSSA-N
MW336.57 g/mol
LogP5.97
Rot. Bonds4

About 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine

2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine (PubChem CID 91866934) has the molecular formula C22H30NSi and a molecular weight of 336.57 g/mol.

Molecular Properties

Compound Name2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine
PubChem CID91866934
Molecular FormulaC22H30NSi
Molecular Weight336.57 g/mol
Exact Mass336.21
IUPAC Name—
SMILESCC[C@@H]1c2ccccc2CC[C@H]1[Si](Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C22H30NSi/c1-5-19-20-12-7-6-10-17(20)13-14-21(19)24(22(2,3)4)16-18-11-8-9-15-23-18/h6-12,15,19,21H,5,13-14,16H2,1-4H3/t19-,21-/m1/s1
InChIKeyUJEVZIYIKJVCTJ-TZIWHRDSSA-N
XLogP5.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.57
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
2-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79423311
2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
CID 130437956
1-ethyl-2,3-dihydro-1H-indene
CID 20971
2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158
N-(2-pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43193645
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63980779
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
CID 58318500
6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 71155361
(2R)-N-methyl-N-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 26458421
(7E)-5-butyl-7-(2-pyridin-2-ylethyl)-9,10-dihydro-5H-benzo[8]annulen-6-one
CID 123309093
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012

Frequently Asked Questions

What is the IUPAC name of 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine?
The IUPAC name of 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine (CID 91866934) is not available.
What is the SMILES notation for 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine?
The canonical SMILES for 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine is CC[C@@H]1c2ccccc2CC[C@H]1[Si](Cc1ccccn1)C(C)(C)C.
What is the InChIKey of 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine?
The InChIKey is UJEVZIYIKJVCTJ-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H30NSi/c1-5-19-20-12-7-6-10-17(20)13-14-21(19)24(22(2,3)4)16-18-11-8-9-15-23-18/h6-12,15,19,21H,5,13-14,16H2,1-4H3/t19-,21-/m1/s1.
What are the key properties of 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine?
2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine has a molecular weight of 336.57 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((tert-Butyl(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)silyl)methyl)pyridine is sourced from PubChem (CID 91866934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).