4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium

C15H27N4O3+ — CID 18420046

IUPAC4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
SMILESCCCOc1nc(OCCC)nc([N+]2(CC)CCOCC2)n1
InChIInChI=1S/C15H27N4O3/c1-4-9-21-14-16-13(17-15(18-14)22-10-5-2)19(6-3)7-11-20-12-8-19/h4-12H2,1-3H3/q+1
InChIKeyRWRBFDSSRLZTOS-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.81
Rot. Bonds8

About 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium

4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium (PubChem CID 18420046) has the molecular formula C15H27N4O3+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium.

Molecular Properties

Compound Name4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
PubChem CID18420046
Molecular FormulaC15H27N4O3+
Molecular Weight311.41 g/mol
Exact Mass311.21
IUPAC Name4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
SMILESCCCOc1nc(OCCC)nc([N+]2(CC)CCOCC2)n1
InChIInChI=1S/C15H27N4O3/c1-4-9-21-14-16-13(17-15(18-14)22-10-5-2)19(6-3)7-11-20-12-8-19/h4-12H2,1-3H3/q+1
InChIKeyRWRBFDSSRLZTOS-UHFFFAOYSA-N
XLogP1.81
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The IUPAC name of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium (CID 18420046) is 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium.
What is the SMILES notation for 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The canonical SMILES for 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium is CCCOc1nc(OCCC)nc([N+]2(CC)CCOCC2)n1.
What is the InChIKey of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The InChIKey is RWRBFDSSRLZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N4O3/c1-4-9-21-14-16-13(17-15(18-14)22-10-5-2)19(6-3)7-11-20-12-8-19/h4-12H2,1-3H3/q+1.
What are the key properties of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium has a molecular weight of 311.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium is sourced from PubChem (CID 18420046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).