N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C17H30N6O2 — CID 3124821

IUPACN-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H30N6O2/c1-2-3-4-5-6-18-15-19-16(22-7-11-24-12-8-22)21-17(20-15)23-9-13-25-14-10-23/h2-14H2,1H3,(H,18,19,20,21)
InChIKeyCGQIAZYETUFFIC-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.54
Rot. Bonds8

About N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3124821) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3124821
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC NameN-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H30N6O2/c1-2-3-4-5-6-18-15-19-16(22-7-11-24-12-8-22)21-17(20-15)23-9-13-25-14-10-23/h2-14H2,1H3,(H,18,19,20,21)
InChIKeyCGQIAZYETUFFIC-UHFFFAOYSA-N
XLogP1.54
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 3124821) is N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is CCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is CGQIAZYETUFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-2-3-4-5-6-18-15-19-16(22-7-11-24-12-8-22)21-17(20-15)23-9-13-25-14-10-23/h2-14H2,1H3,(H,18,19,20,21).
What are the key properties of N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3124821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).