4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine

C13H24N4O — CID 175220818

IUPAC4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine
SMILESCCCCC(CC)Cc1nc(N)nc(OCC)n1
InChIInChI=1S/C13H24N4O/c1-4-7-8-10(5-2)9-11-15-12(14)17-13(16-11)18-6-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyLDXWKSOKNQLBSU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.61
Rot. Bonds8

About 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine

4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine (PubChem CID 175220818) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine
PubChem CID175220818
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine
SMILESCCCCC(CC)Cc1nc(N)nc(OCC)n1
InChIInChI=1S/C13H24N4O/c1-4-7-8-10(5-2)9-11-15-12(14)17-13(16-11)18-6-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyLDXWKSOKNQLBSU-UHFFFAOYSA-N
XLogP2.61
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151165
4-Cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151166
2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine
CID 102586830
4-Methoxy-6-undecyl-1,3,5-triazin-2-amine
CID 13574808
4-Cyclopropyl-6-ethoxy-1,3,5-triazin-2-amine
CID 19980863
2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341510
4-cyclohexyl-6-(2-methoxyethyl)-N-(methoxymethyl)-N-methyl-1,3,5-triazin-2-amine
CID 58341524
2-N,2-N,4-N-tris(butoxymethyl)-6-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58363767
2-Cyclohexyl-4-methoxy-6-methyl-1,3,5-triazine
CID 71241267
2-Cyclohexyl-4,6-dimethoxy-1,3,5-triazine
CID 71242795
2-N,2-N-bis(butoxymethyl)-6-cyclohexyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 117980380
2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 118176348

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine (CID 175220818) is 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine is CCCCC(CC)Cc1nc(N)nc(OCC)n1.
What is the InChIKey of 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine?
The InChIKey is LDXWKSOKNQLBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-8-10(5-2)9-11-15-12(14)17-13(16-11)18-6-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 175220818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).