(1-benzylazonan-2-yl)-diethoxy-methylsilane

C20H35NO2Si — CID 21024204

IUPAC(1-benzylazonan-2-yl)-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1CCCCCCCN1Cc1ccccc1
InChIInChI=1S/C20H35NO2Si/c1-4-22-24(3,23-5-2)20-16-12-7-6-8-13-17-21(20)18-19-14-10-9-11-15-19/h9-11,14-15,20H,4-8,12-13,16-18H2,1-3H3
InChIKeyBEOBAFUAAWPVNZ-UHFFFAOYSA-N
MW349.59 g/mol
LogP4.90
Rot. Bonds7

About (1-benzylazonan-2-yl)-diethoxy-methylsilane

(1-benzylazonan-2-yl)-diethoxy-methylsilane (PubChem CID 21024204) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is (1-benzylazonan-2-yl)-diethoxy-methylsilane.

Molecular Properties

Compound Name(1-benzylazonan-2-yl)-diethoxy-methylsilane
PubChem CID21024204
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name(1-benzylazonan-2-yl)-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1CCCCCCCN1Cc1ccccc1
InChIInChI=1S/C20H35NO2Si/c1-4-22-24(3,23-5-2)20-16-12-7-6-8-13-17-21(20)18-19-14-10-9-11-15-19/h9-11,14-15,20H,4-8,12-13,16-18H2,1-3H3
InChIKeyBEOBAFUAAWPVNZ-UHFFFAOYSA-N
XLogP4.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-benzyl-azacycloundec-2-yl)-ethoxy-dimethylsilane
CID 21024188
dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
CID 21024225
(1-benzyl-3-methylazetidin-2-yl)-diethoxy-methylsilane
CID 21024191
(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
CID 101036609
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
trimethoxy-[1-(2-phenylethyl)-azacycloundec-2-yl]silane
CID 21024256
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-4,4-diethoxy-2,3,4a,5,6,7,8,8a-octahydroquinoline
CID 66580403
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754

Frequently Asked Questions

What is the IUPAC name of (1-benzylazonan-2-yl)-diethoxy-methylsilane?
The IUPAC name of (1-benzylazonan-2-yl)-diethoxy-methylsilane (CID 21024204) is (1-benzylazonan-2-yl)-diethoxy-methylsilane.
What is the SMILES notation for (1-benzylazonan-2-yl)-diethoxy-methylsilane?
The canonical SMILES for (1-benzylazonan-2-yl)-diethoxy-methylsilane is CCO[Si](C)(OCC)C1CCCCCCCN1Cc1ccccc1.
What is the InChIKey of (1-benzylazonan-2-yl)-diethoxy-methylsilane?
The InChIKey is BEOBAFUAAWPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-4-22-24(3,23-5-2)20-16-12-7-6-8-13-17-21(20)18-19-14-10-9-11-15-19/h9-11,14-15,20H,4-8,12-13,16-18H2,1-3H3.
What are the key properties of (1-benzylazonan-2-yl)-diethoxy-methylsilane?
(1-benzylazonan-2-yl)-diethoxy-methylsilane has a molecular weight of 349.59 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylazonan-2-yl)-diethoxy-methylsilane is sourced from PubChem (CID 21024204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).