N'-(1-triethoxysilylpropyl)methanediamine

C10H26N2O3Si — CID 21430833

IUPACN'-(1-triethoxysilylpropyl)methanediamine
SMILESCCO[Si](OCC)(OCC)C(CC)NCN
InChIInChI=1S/C10H26N2O3Si/c1-5-10(12-9-11)16(13-6-2,14-7-3)15-8-4/h10,12H,5-9,11H2,1-4H3
InChIKeyYXOLMGIEMAYSBR-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.86
Rot. Bonds10

About N'-(1-triethoxysilylpropyl)methanediamine

N'-(1-triethoxysilylpropyl)methanediamine (PubChem CID 21430833) has the molecular formula C10H26N2O3Si and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-(1-triethoxysilylpropyl)methanediamine.

Molecular Properties

Compound NameN'-(1-triethoxysilylpropyl)methanediamine
PubChem CID21430833
Molecular FormulaC10H26N2O3Si
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN'-(1-triethoxysilylpropyl)methanediamine
SMILESCCO[Si](OCC)(OCC)C(CC)NCN
InChIInChI=1S/C10H26N2O3Si/c1-5-10(12-9-11)16(13-6-2,14-7-3)15-8-4/h10,12H,5-9,11H2,1-4H3
InChIKeyYXOLMGIEMAYSBR-UHFFFAOYSA-N
XLogP0.86
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.86
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 N'-(1-triethoxysilylpropyl)methanediamine?
The IUPAC name of N'-(1-triethoxysilylpropyl)methanediamine (CID 21430833) is N'-(1-triethoxysilylpropyl)methanediamine.
What is the SMILES notation for N'-(1-triethoxysilylpropyl)methanediamine?
The canonical SMILES for N'-(1-triethoxysilylpropyl)methanediamine is CCO[Si](OCC)(OCC)C(CC)NCN.
What is the InChIKey of N'-(1-triethoxysilylpropyl)methanediamine?
The InChIKey is YXOLMGIEMAYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O3Si/c1-5-10(12-9-11)16(13-6-2,14-7-3)15-8-4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of N'-(1-triethoxysilylpropyl)methanediamine?
N'-(1-triethoxysilylpropyl)methanediamine has a molecular weight of 250.41 g/mol, XLogP of 0.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-triethoxysilylpropyl)methanediamine is sourced from PubChem (CID 21430833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).