1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine

C11H27IN2O3Si — CID 87575032

IUPAC1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine
SMILESCCO[Si](CCCNC(C)NI)(OCC)OCC
InChIInChI=1S/C11H27IN2O3Si/c1-5-15-18(16-6-2,17-7-3)10-8-9-13-11(4)14-12/h11,13-14H,5-10H2,1-4H3
InChIKeyPWWBNXXODREBFY-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.30
Rot. Bonds12

About 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine

1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine (PubChem CID 87575032) has the molecular formula C11H27IN2O3Si and a molecular weight of 390.34 g/mol. Its IUPAC name is 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine
PubChem CID87575032
Molecular FormulaC11H27IN2O3Si
Molecular Weight390.34 g/mol
Exact Mass390.08
IUPAC Name1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine
SMILESCCO[Si](CCCNC(C)NI)(OCC)OCC
InChIInChI=1S/C11H27IN2O3Si/c1-5-15-18(16-6-2,17-7-3)10-8-9-13-11(4)14-12/h11,13-14H,5-10H2,1-4H3
InChIKeyPWWBNXXODREBFY-UHFFFAOYSA-N
XLogP2.30
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine (CID 87575032) is 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine is CCO[Si](CCCNC(C)NI)(OCC)OCC.
What is the InChIKey of 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine?
The InChIKey is PWWBNXXODREBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27IN2O3Si/c1-5-15-18(16-6-2,17-7-3)10-8-9-13-11(4)14-12/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine?
1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine has a molecular weight of 390.34 g/mol, XLogP of 2.30, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 87575032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).