2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine

C23H50N6O6Si2 — CID 66864781

IUPAC2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(C(CC)[Si](OC)(OC)OC)N(c1nc(N)nc(N)n1)C(CCC)C(CC)[Si](OC)(OC)OC
InChIInChI=1S/C23H50N6O6Si2/c1-11-15-17(19(13-3)36(30-5,31-6)32-7)29(23-27-21(24)26-22(25)28-23)18(16-12-2)20(14-4)37(33-8,34-9)35-10/h17-20H,11-16H2,1-10H3,(H4,24,25,26,27,28)
InChIKeyAUADCXRYEXIEGH-UHFFFAOYSA-N
MW562.86 g/mol
LogP3.50
Rot. Bonds19

About 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 66864781) has the molecular formula C23H50N6O6Si2 and a molecular weight of 562.86 g/mol. Its IUPAC name is 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID66864781
Molecular FormulaC23H50N6O6Si2
Molecular Weight562.86 g/mol
Exact Mass562.33
IUPAC Name2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(C(CC)[Si](OC)(OC)OC)N(c1nc(N)nc(N)n1)C(CCC)C(CC)[Si](OC)(OC)OC
InChIInChI=1S/C23H50N6O6Si2/c1-11-15-17(19(13-3)36(30-5,31-6)32-7)29(23-27-21(24)26-22(25)28-23)18(16-12-2)20(14-4)37(33-8,34-9)35-10/h17-20H,11-16H2,1-10H3,(H4,24,25,26,27,28)
InChIKeyAUADCXRYEXIEGH-UHFFFAOYSA-N
XLogP3.50
TPSA149.33 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.86
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 66864781) is 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCC(C(CC)[Si](OC)(OC)OC)N(c1nc(N)nc(N)n1)C(CCC)C(CC)[Si](OC)(OC)OC.
What is the InChIKey of 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AUADCXRYEXIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N6O6Si2/c1-11-15-17(19(13-3)36(30-5,31-6)32-7)29(23-27-21(24)26-22(25)28-23)18(16-12-2)20(14-4)37(33-8,34-9)35-10/h17-20H,11-16H2,1-10H3,(H4,24,25,26,27,28).
What are the key properties of 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 562.86 g/mol, XLogP of 3.50, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66864781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).