N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine

C13H22N4 — CID 147245177

IUPACN-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCCC1CCC(Nc2nc(C)nc(C)n2)CC1
InChIInChI=1S/C13H22N4/c1-4-11-5-7-12(8-6-11)17-13-15-9(2)14-10(3)16-13/h11-12H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyCLODHHWBNVGZEK-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.87
Rot. Bonds3

About N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine

N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 147245177) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID147245177
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCCC1CCC(Nc2nc(C)nc(C)n2)CC1
InChIInChI=1S/C13H22N4/c1-4-11-5-7-12(8-6-11)17-13-15-9(2)14-10(3)16-13/h11-12H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyCLODHHWBNVGZEK-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine (CID 147245177) is N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine is CCC1CCC(Nc2nc(C)nc(C)n2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is CLODHHWBNVGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-11-5-7-12(8-6-11)17-13-15-9(2)14-10(3)16-13/h11-12H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine?
N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 147245177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).