methanamine;2-(silolan-1-yl)-1H-azepine

C13H30N4Si — CID 175294824

IUPACmethanamine;2-(silolan-1-yl)-1H-azepine
SMILESC1=CC=C([SiH]2CCCC2)NC=C1.CN.CN.CN
InChIInChI=1S/C10H15NSi.3CH5N/c1-2-6-10(11-7-3-1)12-8-4-5-9-12;3*1-2/h1-3,6-7,11-12H,4-5,8-9H2;3*2H2,1H3
InChIKeyUBIHKVAVEHJCTC-UHFFFAOYSA-N
MW270.50 g/mol
LogP0.83
Rot. Bonds1

About methanamine;2-(silolan-1-yl)-1H-azepine

methanamine;2-(silolan-1-yl)-1H-azepine (PubChem CID 175294824) has the molecular formula C13H30N4Si and a molecular weight of 270.50 g/mol. Its IUPAC name is methanamine;2-(silolan-1-yl)-1H-azepine.

Molecular Properties

Compound Namemethanamine;2-(silolan-1-yl)-1H-azepine
PubChem CID175294824
Molecular FormulaC13H30N4Si
Molecular Weight270.50 g/mol
Exact Mass270.22
IUPAC Namemethanamine;2-(silolan-1-yl)-1H-azepine
SMILESC1=CC=C([SiH]2CCCC2)NC=C1.CN.CN.CN
InChIInChI=1S/C10H15NSi.3CH5N/c1-2-6-10(11-7-3-1)12-8-4-5-9-12;3*1-2/h1-3,6-7,11-12H,4-5,8-9H2;3*2H2,1H3
InChIKeyUBIHKVAVEHJCTC-UHFFFAOYSA-N
XLogP0.83
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 methanamine;2-(silolan-1-yl)-1H-azepine?
The IUPAC name of methanamine;2-(silolan-1-yl)-1H-azepine (CID 175294824) is methanamine;2-(silolan-1-yl)-1H-azepine.
What is the SMILES notation for methanamine;2-(silolan-1-yl)-1H-azepine?
The canonical SMILES for methanamine;2-(silolan-1-yl)-1H-azepine is C1=CC=C([SiH]2CCCC2)NC=C1.CN.CN.CN.
What is the InChIKey of methanamine;2-(silolan-1-yl)-1H-azepine?
The InChIKey is UBIHKVAVEHJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NSi.3CH5N/c1-2-6-10(11-7-3-1)12-8-4-5-9-12;3*1-2/h1-3,6-7,11-12H,4-5,8-9H2;3*2H2,1H3.
What are the key properties of methanamine;2-(silolan-1-yl)-1H-azepine?
methanamine;2-(silolan-1-yl)-1H-azepine has a molecular weight of 270.50 g/mol, XLogP of 0.83, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(silolan-1-yl)-1H-azepine is sourced from PubChem (CID 175294824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).