1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine

C10H26N2O2Si — CID 173007016

IUPAC1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine
SMILESCCO[SiH](CC(CC)NC(C)N)OCC
InChIInChI=1S/C10H26N2O2Si/c1-5-10(12-9(4)11)8-15(13-6-2)14-7-3/h9-10,12,15H,5-8,11H2,1-4H3
InChIKeyKWDNGAHNCIIQDT-UHFFFAOYSA-N
MW234.42 g/mol
LogP0.95
Rot. Bonds9

About 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine

1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine (PubChem CID 173007016) has the molecular formula C10H26N2O2Si and a molecular weight of 234.42 g/mol. Its IUPAC name is 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine
PubChem CID173007016
Molecular FormulaC10H26N2O2Si
Molecular Weight234.42 g/mol
Exact Mass234.18
IUPAC Name1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine
SMILESCCO[SiH](CC(CC)NC(C)N)OCC
InChIInChI=1S/C10H26N2O2Si/c1-5-10(12-9(4)11)8-15(13-6-2)14-7-3/h9-10,12,15H,5-8,11H2,1-4H3
InChIKeyKWDNGAHNCIIQDT-UHFFFAOYSA-N
XLogP0.95
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 19826476
CID 19826476
CID 21225588
CID 21225588
CID 22662576
CID 22662576
CID 17789711
CID 17789711
CID 17962964
CID 17962964
CID 18006717
CID 18006717
CID 18006721
CID 18006721
CID 18006724
CID 18006724
CID 18006725
CID 18006725
CID 18006737
CID 18006737
CID 18459432
CID 18459432
CID 18459435
CID 18459435

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine (CID 173007016) is 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine is CCO[SiH](CC(CC)NC(C)N)OCC.
What is the InChIKey of 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine?
The InChIKey is KWDNGAHNCIIQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O2Si/c1-5-10(12-9(4)11)8-15(13-6-2)14-7-3/h9-10,12,15H,5-8,11H2,1-4H3.
What are the key properties of 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine?
1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine has a molecular weight of 234.42 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-diethoxysilylbutan-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 173007016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).