1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine

C11H28N2O2Si — CID 87899876

IUPAC1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine
SMILESCCO[Si](CC)(OCC)C(CC)NC(C)N
InChIInChI=1S/C11H28N2O2Si/c1-6-11(13-10(5)12)16(9-4,14-7-2)15-8-3/h10-11,13H,6-9,12H2,1-5H3
InChIKeyWGDSFGKEHRGCNS-UHFFFAOYSA-N
MW248.44 g/mol
LogP1.73
Rot. Bonds9

About 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine

1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine (PubChem CID 87899876) has the molecular formula C11H28N2O2Si and a molecular weight of 248.44 g/mol. Its IUPAC name is 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine
PubChem CID87899876
Molecular FormulaC11H28N2O2Si
Molecular Weight248.44 g/mol
Exact Mass248.19
IUPAC Name1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine
SMILESCCO[Si](CC)(OCC)C(CC)NC(C)N
InChIInChI=1S/C11H28N2O2Si/c1-6-11(13-10(5)12)16(9-4,14-7-2)15-8-3/h10-11,13H,6-9,12H2,1-5H3
InChIKeyWGDSFGKEHRGCNS-UHFFFAOYSA-N
XLogP1.73
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine (CID 87899876) is 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine is CCO[Si](CC)(OCC)C(CC)NC(C)N.
What is the InChIKey of 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine?
The InChIKey is WGDSFGKEHRGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O2Si/c1-6-11(13-10(5)12)16(9-4,14-7-2)15-8-3/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine?
1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine has a molecular weight of 248.44 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine is sourced from PubChem (CID 87899876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).