1H-azepin-2-yl(trimethyl)silane

C9H15NSi — CID 174489846

IUPAC1H-azepin-2-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=CC=CC=CN1
InChIInChI=1S/C9H15NSi/c1-11(2,3)9-7-5-4-6-8-10-9/h4-8,10H,1-3H3
InChIKeyLXVGVSHOEWJRPP-UHFFFAOYSA-N
MW165.31 g/mol
LogP2.42
Rot. Bonds1

About 1H-azepin-2-yl(trimethyl)silane

1H-azepin-2-yl(trimethyl)silane (PubChem CID 174489846) has the molecular formula C9H15NSi and a molecular weight of 165.31 g/mol. Its IUPAC name is 1H-azepin-2-yl(trimethyl)silane.

Molecular Properties

Compound Name1H-azepin-2-yl(trimethyl)silane
PubChem CID174489846
Molecular FormulaC9H15NSi
Molecular Weight165.31 g/mol
Exact Mass165.10
IUPAC Name1H-azepin-2-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=CC=CC=CN1
InChIInChI=1S/C9H15NSi/c1-11(2,3)9-7-5-4-6-8-10-9/h4-8,10H,1-3H3
InChIKeyLXVGVSHOEWJRPP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-2-yl(trimethyl)silane?
The IUPAC name of 1H-azepin-2-yl(trimethyl)silane (CID 174489846) is 1H-azepin-2-yl(trimethyl)silane.
What is the SMILES notation for 1H-azepin-2-yl(trimethyl)silane?
The canonical SMILES for 1H-azepin-2-yl(trimethyl)silane is C[Si](C)(C)C1=CC=CC=CN1.
What is the InChIKey of 1H-azepin-2-yl(trimethyl)silane?
The InChIKey is LXVGVSHOEWJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NSi/c1-11(2,3)9-7-5-4-6-8-10-9/h4-8,10H,1-3H3.
What are the key properties of 1H-azepin-2-yl(trimethyl)silane?
1H-azepin-2-yl(trimethyl)silane has a molecular weight of 165.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-2-yl(trimethyl)silane is sourced from PubChem (CID 174489846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).