1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine

C9H24N2O2Si — CID 173053249

IUPAC1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine
SMILESCCO[SiH](OCC)C(CC)NC(C)N
InChIInChI=1S/C9H24N2O2Si/c1-5-9(11-8(4)10)14(12-6-2)13-7-3/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeyFMRUEKUYHUGEHQ-UHFFFAOYSA-N
MW220.39 g/mol
LogP0.49
Rot. Bonds8

About 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine

1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine (PubChem CID 173053249) has the molecular formula C9H24N2O2Si and a molecular weight of 220.39 g/mol. Its IUPAC name is 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine
PubChem CID173053249
Molecular FormulaC9H24N2O2Si
Molecular Weight220.39 g/mol
Exact Mass220.16
IUPAC Name1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine
SMILESCCO[SiH](OCC)C(CC)NC(C)N
InChIInChI=1S/C9H24N2O2Si/c1-5-9(11-8(4)10)14(12-6-2)13-7-3/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeyFMRUEKUYHUGEHQ-UHFFFAOYSA-N
XLogP0.49
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 50.49
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-diethoxysilylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine (CID 173053249) is 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine is CCO[SiH](OCC)C(CC)NC(C)N.
What is the InChIKey of 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine?
The InChIKey is FMRUEKUYHUGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O2Si/c1-5-9(11-8(4)10)14(12-6-2)13-7-3/h8-9,11,14H,5-7,10H2,1-4H3.
What are the key properties of 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine?
1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine has a molecular weight of 220.39 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-diethoxysilylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 173053249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).