2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

C11H20N6 — CID 140510686

IUPAC2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1CCC(N(C)c2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-7-3-5-8(6-4-7)17(2)11-15-9(12)14-10(13)16-11/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyZMHYFMLMFHMCME-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds2

About 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 140510686) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID140510686
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1CCC(N(C)c2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H20N6/c1-7-3-5-8(6-4-7)17(2)11-15-9(12)14-10(13)16-11/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyZMHYFMLMFHMCME-UHFFFAOYSA-N
XLogP1.05
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (CID 140510686) is 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is CC1CCC(N(C)c2nc(N)nc(N)n2)CC1.
What is the InChIKey of 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZMHYFMLMFHMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-7-3-5-8(6-4-7)17(2)11-15-9(12)14-10(13)16-11/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 140510686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).