4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine

C20H36N4O2 — CID 58341516

IUPAC4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCOCCc1nc(C2CCCC2)nc(N(C)COCCCC)n1
InChIInChI=1S/C20H36N4O2/c1-4-6-13-25-15-12-18-21-19(17-10-8-9-11-17)23-20(22-18)24(3)16-26-14-7-5-2/h17H,4-16H2,1-3H3
InChIKeyJJSXSKBGQJUMCT-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.10
Rot. Bonds13

About 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine

4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 58341516) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine
PubChem CID58341516
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCOCCc1nc(C2CCCC2)nc(N(C)COCCCC)n1
InChIInChI=1S/C20H36N4O2/c1-4-6-13-25-15-12-18-21-19(17-10-8-9-11-17)23-20(22-18)24(3)16-26-14-7-5-2/h17H,4-16H2,1-3H3
InChIKeyJJSXSKBGQJUMCT-UHFFFAOYSA-N
XLogP4.10
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine (CID 58341516) is 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine is CCCCOCCc1nc(C2CCCC2)nc(N(C)COCCCC)n1.
What is the InChIKey of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is JJSXSKBGQJUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-4-6-13-25-15-12-18-21-19(17-10-8-9-11-17)23-20(22-18)24(3)16-26-14-7-5-2/h17H,4-16H2,1-3H3.
What are the key properties of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine?
4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 364.53 g/mol, XLogP of 4.10, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 58341516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).