4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine

C16H38N2O2Si — CID 140622922

IUPAC4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine
SMILESCCCNCCCC[Si](CCCCNCCC)(OC)OC
InChIInChI=1S/C16H38N2O2Si/c1-5-11-17-13-7-9-15-21(19-3,20-4)16-10-8-14-18-12-6-2/h17-18H,5-16H2,1-4H3
InChIKeyWCGDXVJXVODLJH-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.28
Rot. Bonds16

About 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine

4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine (PubChem CID 140622922) has the molecular formula C16H38N2O2Si and a molecular weight of 318.58 g/mol. Its IUPAC name is 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine
PubChem CID140622922
Molecular FormulaC16H38N2O2Si
Molecular Weight318.58 g/mol
Exact Mass318.27
IUPAC Name4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine
SMILESCCCNCCCC[Si](CCCCNCCC)(OC)OC
InChIInChI=1S/C16H38N2O2Si/c1-5-11-17-13-7-9-15-21(19-3,20-4)16-10-8-14-18-12-6-2/h17-18H,5-16H2,1-4H3
InChIKeyWCGDXVJXVODLJH-UHFFFAOYSA-N
XLogP3.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine?
The IUPAC name of 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine (CID 140622922) is 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine.
What is the SMILES notation for 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine?
The canonical SMILES for 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine is CCCNCCCC[Si](CCCCNCCC)(OC)OC.
What is the InChIKey of 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine?
The InChIKey is WCGDXVJXVODLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2O2Si/c1-5-11-17-13-7-9-15-21(19-3,20-4)16-10-8-14-18-12-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine?
4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine has a molecular weight of 318.58 g/mol, XLogP of 3.28, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine is sourced from PubChem (CID 140622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).