4,4-dimethyl-1,4-azasilepane;hydrochloride

C7H18ClNSi — CID 56590439

IUPAC4,4-dimethyl-1,4-azasilepane;hydrochloride
SMILESC[Si]1(C)CCCNCC1.Cl
InChIInChI=1S/C7H17NSi.ClH/c1-9(2)6-3-4-8-5-7-9;/h8H,3-7H2,1-2H3;1H
InChIKeyZAXRMKBMFYIHJB-UHFFFAOYSA-N
MW179.77 g/mol
LogP2.11
Rot. Bonds

About 4,4-dimethyl-1,4-azasilepane;hydrochloride

4,4-dimethyl-1,4-azasilepane;hydrochloride (PubChem CID 56590439) has the molecular formula C7H18ClNSi and a molecular weight of 179.77 g/mol. Its IUPAC name is 4,4-dimethyl-1,4-azasilepane;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-1,4-azasilepane;hydrochloride
PubChem CID56590439
Molecular FormulaC7H18ClNSi
Molecular Weight179.77 g/mol
Exact Mass179.09
IUPAC Name4,4-dimethyl-1,4-azasilepane;hydrochloride
SMILESC[Si]1(C)CCCNCC1.Cl
InChIInChI=1S/C7H17NSi.ClH/c1-9(2)6-3-4-8-5-7-9;/h8H,3-7H2,1-2H3;1H
InChIKeyZAXRMKBMFYIHJB-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.77
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1,4-azasilepane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,4-azasilepane;hydrochloride?
The IUPAC name of 4,4-dimethyl-1,4-azasilepane;hydrochloride (CID 56590439) is 4,4-dimethyl-1,4-azasilepane;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-1,4-azasilepane;hydrochloride?
The canonical SMILES for 4,4-dimethyl-1,4-azasilepane;hydrochloride is C[Si]1(C)CCCNCC1.Cl.
What is the InChIKey of 4,4-dimethyl-1,4-azasilepane;hydrochloride?
The InChIKey is ZAXRMKBMFYIHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NSi.ClH/c1-9(2)6-3-4-8-5-7-9;/h8H,3-7H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-1,4-azasilepane;hydrochloride?
4,4-dimethyl-1,4-azasilepane;hydrochloride has a molecular weight of 179.77 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,4-azasilepane;hydrochloride is sourced from PubChem (CID 56590439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).