(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane

C19H35NSi2 — CID 101036609

IUPAC(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C1CCCCC([Si](C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C19H35NSi2/c1-21(2,3)18-14-10-11-15-19(22(4,5)6)20(18)16-17-12-8-7-9-13-17/h7-9,12-13,18-19H,10-11,14-16H2,1-6H3
InChIKeyLFROFNHOIQTIEB-UHFFFAOYSA-N
MW333.67 g/mol
LogP5.55
Rot. Bonds4

About (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane

(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane (PubChem CID 101036609) has the molecular formula C19H35NSi2 and a molecular weight of 333.67 g/mol. Its IUPAC name is (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
PubChem CID101036609
Molecular FormulaC19H35NSi2
Molecular Weight333.67 g/mol
Exact Mass333.23
IUPAC Name(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C1CCCCC([Si](C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C19H35NSi2/c1-21(2,3)18-14-10-11-15-19(22(4,5)6)20(18)16-17-12-8-7-9-13-17/h7-9,12-13,18-19H,10-11,14-16H2,1-6H3
InChIKeyLFROFNHOIQTIEB-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.67
LogP ≤ 55.55
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

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dimethoxy-methyl-[1-(2-phenylethyl)azepan-2-yl]silane
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CID 140573272
CID 140573272
[(2S,3R)-1-benzyl-3-methylaziridin-2-yl]-dicyclohexylmethanol
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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane?
The IUPAC name of (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane (CID 101036609) is (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane.
What is the SMILES notation for (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane?
The canonical SMILES for (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane is C[Si](C)(C)C1CCCCC([Si](C)(C)C)N1Cc1ccccc1.
What is the InChIKey of (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane?
The InChIKey is LFROFNHOIQTIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NSi2/c1-21(2,3)18-14-10-11-15-19(22(4,5)6)20(18)16-17-12-8-7-9-13-17/h7-9,12-13,18-19H,10-11,14-16H2,1-6H3.
What are the key properties of (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane?
(1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane has a molecular weight of 333.67 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-7-trimethylsilylazepan-2-yl)-trimethylsilane is sourced from PubChem (CID 101036609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).