N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine

C14H26N4O2 — CID 80861953

IUPACN-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCCCC(C)Oc1nc(NCC)nc(OC)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-8-9-10-11(3)20-14-17-12(15-6-2)16-13(18-14)19-4/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyJLUOTIGRGAEORR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds10

About N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80861953) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80861953
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCCCC(C)Oc1nc(NCC)nc(OC)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-8-9-10-11(3)20-14-17-12(15-6-2)16-13(18-14)19-4/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyJLUOTIGRGAEORR-UHFFFAOYSA-N
XLogP3.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
4-N-ethyl-2-N,2-N-dimethyl-6-pentan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 102989484
(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906947
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
CID 80861672
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80820590
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
6-bromo-2-octan-2-yloxypyrimidin-4-amine
CID 116797551
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
N-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine (CID 80861953) is N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine is CCCCCCC(C)Oc1nc(NCC)nc(OC)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is JLUOTIGRGAEORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-7-8-9-10-11(3)20-14-17-12(15-6-2)16-13(18-14)19-4/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-octan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).