2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine

C18H37N5O4Si — CID 155644147

IUPAC2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CC)c1nc(NC[Si](OCC)(OCC)OCC)nc(OCC)n1
InChIInChI=1S/C18H37N5O4Si/c1-7-13-14-23(8-2)17-20-16(21-18(22-17)24-9-3)19-15-28(25-10-4,26-11-5)27-12-6/h7-15H2,1-6H3,(H,19,20,21,22)
InChIKeyZZCMLHOIDIVPSY-UHFFFAOYSA-N
MW415.61 g/mol
LogP2.90
Rot. Bonds16

About 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine

2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 155644147) has the molecular formula C18H37N5O4Si and a molecular weight of 415.61 g/mol. Its IUPAC name is 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID155644147
Molecular FormulaC18H37N5O4Si
Molecular Weight415.61 g/mol
Exact Mass415.26
IUPAC Name2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CC)c1nc(NC[Si](OCC)(OCC)OCC)nc(OCC)n1
InChIInChI=1S/C18H37N5O4Si/c1-7-13-14-23(8-2)17-20-16(21-18(22-17)24-9-3)19-15-28(25-10-4,26-11-5)27-12-6/h7-15H2,1-6H3,(H,19,20,21,22)
InChIKeyZZCMLHOIDIVPSY-UHFFFAOYSA-N
XLogP2.90
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine (CID 155644147) is 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine is CCCCN(CC)c1nc(NC[Si](OCC)(OCC)OCC)nc(OCC)n1.
What is the InChIKey of 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZZCMLHOIDIVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O4Si/c1-7-13-14-23(8-2)17-20-16(21-18(22-17)24-9-3)19-15-28(25-10-4,26-11-5)27-12-6/h7-15H2,1-6H3,(H,19,20,21,22).
What are the key properties of 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 415.61 g/mol, XLogP of 2.90, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-ethoxy-2-N-ethyl-4-N-(triethoxysilylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155644147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).