N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine

C17H42N2O6Si2 — CID 15643438

IUPACN,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine
SMILESCCO[Si](CN(C)CN(C)C[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C17H42N2O6Si2/c1-9-20-26(21-10-2,22-11-3)16-18(7)15-19(8)17-27(23-12-4,24-13-5)25-14-6/h9-17H2,1-8H3
InChIKeyPVPGVAFYFHWXPF-UHFFFAOYSA-N
MW426.70 g/mol
LogP1.98
Rot. Bonds18

About N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine

N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine (PubChem CID 15643438) has the molecular formula C17H42N2O6Si2 and a molecular weight of 426.70 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine
PubChem CID15643438
Molecular FormulaC17H42N2O6Si2
Molecular Weight426.70 g/mol
Exact Mass426.26
IUPAC NameN,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine
SMILESCCO[Si](CN(C)CN(C)C[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C17H42N2O6Si2/c1-9-20-26(21-10-2,22-11-3)16-18(7)15-19(8)17-27(23-12-4,24-13-5)25-14-6/h9-17H2,1-8H3
InChIKeyPVPGVAFYFHWXPF-UHFFFAOYSA-N
XLogP1.98
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine (CID 15643438) is N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine is CCO[Si](CN(C)CN(C)C[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine?
The InChIKey is PVPGVAFYFHWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N2O6Si2/c1-9-20-26(21-10-2,22-11-3)16-18(7)15-19(8)17-27(23-12-4,24-13-5)25-14-6/h9-17H2,1-8H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine?
N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine has a molecular weight of 426.70 g/mol, XLogP of 1.98, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine is sourced from PubChem (CID 15643438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).