N'-(2-tripropoxysilylethyl)methanediamine

C12H30N2O3Si — CID 18459432

IUPACN'-(2-tripropoxysilylethyl)methanediamine
SMILESCCCO[Si](CCNCN)(OCCC)OCCC
InChIInChI=1S/C12H30N2O3Si/c1-4-8-15-18(16-9-5-2,17-10-6-3)11-7-14-12-13/h14H,4-13H2,1-3H3
InChIKeyWANRJOKXKXBYAG-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.71
Rot. Bonds13

About N'-(2-tripropoxysilylethyl)methanediamine

N'-(2-tripropoxysilylethyl)methanediamine (PubChem CID 18459432) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is N'-(2-tripropoxysilylethyl)methanediamine.

Molecular Properties

Compound NameN'-(2-tripropoxysilylethyl)methanediamine
PubChem CID18459432
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC NameN'-(2-tripropoxysilylethyl)methanediamine
SMILESCCCO[Si](CCNCN)(OCCC)OCCC
InChIInChI=1S/C12H30N2O3Si/c1-4-8-15-18(16-9-5-2,17-10-6-3)11-7-14-12-13/h14H,4-13H2,1-3H3
InChIKeyWANRJOKXKXBYAG-UHFFFAOYSA-N
XLogP1.71
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.71
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'}

Analyze N'-(2-tripropoxysilylethyl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-tripropoxysilylethyl)methanediamine?
The IUPAC name of N'-(2-tripropoxysilylethyl)methanediamine (CID 18459432) is N'-(2-tripropoxysilylethyl)methanediamine.
What is the SMILES notation for N'-(2-tripropoxysilylethyl)methanediamine?
The canonical SMILES for N'-(2-tripropoxysilylethyl)methanediamine is CCCO[Si](CCNCN)(OCCC)OCCC.
What is the InChIKey of N'-(2-tripropoxysilylethyl)methanediamine?
The InChIKey is WANRJOKXKXBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-4-8-15-18(16-9-5-2,17-10-6-3)11-7-14-12-13/h14H,4-13H2,1-3H3.
What are the key properties of N'-(2-tripropoxysilylethyl)methanediamine?
N'-(2-tripropoxysilylethyl)methanediamine has a molecular weight of 278.47 g/mol, XLogP of 1.71, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tripropoxysilylethyl)methanediamine is sourced from PubChem (CID 18459432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).