(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane

C21H37NOSi — CID 21024188

IUPAC(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)C1CCCCCCCCCN1Cc1ccccc1
InChIInChI=1S/C21H37NOSi/c1-4-23-24(2,3)21-17-13-8-6-5-7-9-14-18-22(21)19-20-15-11-10-12-16-20/h10-12,15-16,21H,4-9,13-14,17-19H2,1-3H3
InChIKeyYFZLRJVMFHPJIF-UHFFFAOYSA-N
MW347.62 g/mol
LogP5.77
Rot. Bonds5

About (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane

(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane (PubChem CID 21024188) has the molecular formula C21H37NOSi and a molecular weight of 347.62 g/mol. Its IUPAC name is (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane.

Molecular Properties

Compound Name(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
PubChem CID21024188
Molecular FormulaC21H37NOSi
Molecular Weight347.62 g/mol
Exact Mass347.26
IUPAC Name(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)C1CCCCCCCCCN1Cc1ccccc1
InChIInChI=1S/C21H37NOSi/c1-4-23-24(2,3)21-17-13-8-6-5-7-9-14-18-22(21)19-20-15-11-10-12-16-20/h10-12,15-16,21H,4-9,13-14,17-19H2,1-3H3
InChIKeyYFZLRJVMFHPJIF-UHFFFAOYSA-N
XLogP5.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane 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

(1-benzylazonan-2-yl)-diethoxy-methylsilane
CID 21024204
(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
CID 101036609
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
CID 21024225
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane
CID 21024256
(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane
CID 21024191
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-4,4-diethoxy-2,3,4a,5,6,7,8,8a-octahydroquinoline
CID 66580403
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane?
The IUPAC name of (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane (CID 21024188) is (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane.
What is the SMILES notation for (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane?
The canonical SMILES for (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane is CCO[Si](C)(C)C1CCCCCCCCCN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane?
The InChIKey is YFZLRJVMFHPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NOSi/c1-4-23-24(2,3)21-17-13-8-6-5-7-9-14-18-22(21)19-20-15-11-10-12-16-20/h10-12,15-16,21H,4-9,13-14,17-19H2,1-3H3.
What are the key properties of (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane?
(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane has a molecular weight of 347.62 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane is sourced from PubChem (CID 21024188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).