N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine

C18H32N4O2 — CID 58341528

IUPACN-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine
SMILESCCCCOCN(COC)c1nc(CC)nc(C2CCC(C)C2)n1
InChIInChI=1S/C18H32N4O2/c1-5-7-10-24-13-22(12-23-4)18-20-16(6-2)19-17(21-18)15-9-8-14(3)11-15/h14-15H,5-13H2,1-4H3
InChIKeyABCYAMJAHSOBRZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.52
Rot. Bonds10

About N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine

N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine (PubChem CID 58341528) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine
PubChem CID58341528
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine
SMILESCCCCOCN(COC)c1nc(CC)nc(C2CCC(C)C2)n1
InChIInChI=1S/C18H32N4O2/c1-5-7-10-24-13-22(12-23-4)18-20-16(6-2)19-17(21-18)15-9-8-14(3)11-15/h14-15H,5-13H2,1-4H3
InChIKeyABCYAMJAHSOBRZ-UHFFFAOYSA-N
XLogP3.52
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.52
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 N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine (CID 58341528) is N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine is CCCCOCN(COC)c1nc(CC)nc(C2CCC(C)C2)n1.
What is the InChIKey of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine?
The InChIKey is ABCYAMJAHSOBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-5-7-10-24-13-22(12-23-4)18-20-16(6-2)19-17(21-18)15-9-8-14(3)11-15/h14-15H,5-13H2,1-4H3.
What are the key properties of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine?
N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine has a molecular weight of 336.48 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58341528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).