bis(azepan-1-yl)-methylsilane

C13H28N2Si — CID 71387961

IUPACbis(azepan-1-yl)-methylsilane
SMILESC[SiH](N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C13H28N2Si/c1-16(14-10-6-2-3-7-11-14)15-12-8-4-5-9-13-15/h16H,2-13H2,1H3
InChIKeyBAQZTGNEGJMSEC-UHFFFAOYSA-N
MW240.47 g/mol
LogP2.59
Rot. Bonds2

About bis(azepan-1-yl)-methylsilane

bis(azepan-1-yl)-methylsilane (PubChem CID 71387961) has the molecular formula C13H28N2Si and a molecular weight of 240.47 g/mol. Its IUPAC name is bis(azepan-1-yl)-methylsilane.

Molecular Properties

Compound Namebis(azepan-1-yl)-methylsilane
PubChem CID71387961
Molecular FormulaC13H28N2Si
Molecular Weight240.47 g/mol
Exact Mass240.20
IUPAC Namebis(azepan-1-yl)-methylsilane
SMILESC[SiH](N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C13H28N2Si/c1-16(14-10-6-2-3-7-11-14)15-12-8-4-5-9-13-15/h16H,2-13H2,1H3
InChIKeyBAQZTGNEGJMSEC-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(azepan-1-yl)-methylsilane?
The IUPAC name of bis(azepan-1-yl)-methylsilane (CID 71387961) is bis(azepan-1-yl)-methylsilane.
What is the SMILES notation for bis(azepan-1-yl)-methylsilane?
The canonical SMILES for bis(azepan-1-yl)-methylsilane is C[SiH](N1CCCCCC1)N1CCCCCC1.
What is the InChIKey of bis(azepan-1-yl)-methylsilane?
The InChIKey is BAQZTGNEGJMSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2Si/c1-16(14-10-6-2-3-7-11-14)15-12-8-4-5-9-13-15/h16H,2-13H2,1H3.
What are the key properties of bis(azepan-1-yl)-methylsilane?
bis(azepan-1-yl)-methylsilane has a molecular weight of 240.47 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azepan-1-yl)-methylsilane is sourced from PubChem (CID 71387961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).