2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

C19H42N6O6Si2 — CID 66864782

IUPAC2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCC[Si](OC)(OC)OC)c1nc(N)nc(NCCC[Si](OC)(OC)OC)n1
InChIInChI=1S/C19H42N6O6Si2/c1-8-9-13-25(14-11-16-33(29-5,30-6)31-7)19-23-17(20)22-18(24-19)21-12-10-15-32(26-2,27-3)28-4/h8-16H2,1-7H3,(H3,20,21,22,23,24)
InChIKeyWOOYKWKWKTYILQ-UHFFFAOYSA-N
MW506.75 g/mol
LogP2.01
Rot. Bonds19

About 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 66864782) has the molecular formula C19H42N6O6Si2 and a molecular weight of 506.75 g/mol. Its IUPAC name is 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID66864782
Molecular FormulaC19H42N6O6Si2
Molecular Weight506.75 g/mol
Exact Mass506.27
IUPAC Name2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCC[Si](OC)(OC)OC)c1nc(N)nc(NCCC[Si](OC)(OC)OC)n1
InChIInChI=1S/C19H42N6O6Si2/c1-8-9-13-25(14-11-16-33(29-5,30-6)31-7)19-23-17(20)22-18(24-19)21-12-10-15-32(26-2,27-3)28-4/h8-16H2,1-7H3,(H3,20,21,22,23,24)
InChIKeyWOOYKWKWKTYILQ-UHFFFAOYSA-N
XLogP2.01
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 66864782) is 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCC[Si](OC)(OC)OC)c1nc(N)nc(NCCC[Si](OC)(OC)OC)n1.
What is the InChIKey of 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WOOYKWKWKTYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N6O6Si2/c1-8-9-13-25(14-11-16-33(29-5,30-6)31-7)19-23-17(20)22-18(24-19)21-12-10-15-32(26-2,27-3)28-4/h8-16H2,1-7H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 506.75 g/mol, XLogP of 2.01, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66864782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).