2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 112746097

IUPAC2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOCCNc1nc(N)nc(CC)n1
InChIInChI=1S/C11H21N5O/c1-3-5-7-17-8-6-13-11-15-9(4-2)14-10(12)16-11/h3-8H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyJLVMOYKRSFDKQL-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.24
Rot. Bonds8

About 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine

2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 112746097) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID112746097
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOCCNc1nc(N)nc(CC)n1
InChIInChI=1S/C11H21N5O/c1-3-5-7-17-8-6-13-11-15-9(4-2)14-10(12)16-11/h3-8H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyJLVMOYKRSFDKQL-UHFFFAOYSA-N
XLogP1.24
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine (CID 112746097) is 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine is CCCCOCCNc1nc(N)nc(CC)n1.
What is the InChIKey of 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JLVMOYKRSFDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-5-7-17-8-6-13-11-15-9(4-2)14-10(12)16-11/h3-8H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).