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

C9H24N2O3Si — CID 18459435

IUPAC1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine
SMILESCCCC(NC(C)N)[Si](OC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-6-7-9(11-8(2)10)15(12-3,13-4)14-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyQPTOFFVMVYHXBV-UHFFFAOYSA-N
MW236.39 g/mol
LogP0.47
Rot. Bonds8

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

1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine (PubChem CID 18459435) has the molecular formula C9H24N2O3Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine
PubChem CID18459435
Molecular FormulaC9H24N2O3Si
Molecular Weight236.39 g/mol
Exact Mass236.16
IUPAC Name1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine
SMILESCCCC(NC(C)N)[Si](OC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-6-7-9(11-8(2)10)15(12-3,13-4)14-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyQPTOFFVMVYHXBV-UHFFFAOYSA-N
XLogP0.47
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-trimethoxysilylbutyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine (CID 18459435) is 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine is CCCC(NC(C)N)[Si](OC)(OC)OC.
What is the InChIKey of 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine?
The InChIKey is QPTOFFVMVYHXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si/c1-6-7-9(11-8(2)10)15(12-3,13-4)14-5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine?
1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine has a molecular weight of 236.39 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-trimethoxysilylbutyl)ethane-1,1-diamine is sourced from PubChem (CID 18459435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).