4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine

C13H22N4O — CID 64535262

IUPAC4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine
SMILESCCOC(C)c1nc(N)nc(C2CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-9(2)11-15-12(17-13(14)16-11)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyDIGKTSDTEQVNEU-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.60
Rot. Bonds4

About 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine (PubChem CID 64535262) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine
PubChem CID64535262
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine
SMILESCCOC(C)c1nc(N)nc(C2CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-9(2)11-15-12(17-13(14)16-11)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyDIGKTSDTEQVNEU-UHFFFAOYSA-N
XLogP2.60
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine (CID 64535262) is 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine is CCOC(C)c1nc(N)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine?
The InChIKey is DIGKTSDTEQVNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-9(2)11-15-12(17-13(14)16-11)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(1-ethoxyethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 64535262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).