3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)

C17H30BrN2Si — CID 78061182

IUPAC—
SMILESCN(C)CCC[Si](CCCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H30BrN2Si/c1-19(2)11-5-13-21(14-6-12-20(3)4)15-16-7-9-17(18)10-8-16/h7-10H,5-6,11-15H2,1-4H3
InChIKeyHKZLDZZCBICQCP-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.93
Rot. Bonds10

About 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)

3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine) (PubChem CID 78061182) has the molecular formula C17H30BrN2Si and a molecular weight of 370.43 g/mol.

Molecular Properties

Compound Name3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)
PubChem CID78061182
Molecular FormulaC17H30BrN2Si
Molecular Weight370.43 g/mol
Exact Mass369.14
IUPAC Name—
SMILESCN(C)CCC[Si](CCCN(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H30BrN2Si/c1-19(2)11-5-13-21(14-6-12-20(3)4)15-16-7-9-17(18)10-8-16/h7-10H,5-6,11-15H2,1-4H3
InChIKeyHKZLDZZCBICQCP-UHFFFAOYSA-N
XLogP3.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.93
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 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)?
The IUPAC name of 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine) (CID 78061182) is not available.
What is the SMILES notation for 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)?
The canonical SMILES for 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine) is CN(C)CCC[Si](CCCN(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)?
The InChIKey is HKZLDZZCBICQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN2Si/c1-19(2)11-5-13-21(14-6-12-20(3)4)15-16-7-9-17(18)10-8-16/h7-10H,5-6,11-15H2,1-4H3.
What are the key properties of 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine)?
3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine) has a molecular weight of 370.43 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-{[(4-Bromophenyl)methyl]silanediyl}bis(N,N-dimethylpropan-1-amine) is sourced from PubChem (CID 78061182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).