[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine

C14H26N4 — CID 115443142

IUPAC[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
SMILESCC(C)Cn1cnnc1C1(CN)CCC(C)CC1
InChIInChI=1S/C14H26N4/c1-11(2)8-18-10-16-17-13(18)14(9-15)6-4-12(3)5-7-14/h10-12H,4-9,15H2,1-3H3
InChIKeyGNYDEYCFMUWRFO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds4

About [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine

[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine (PubChem CID 115443142) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
PubChem CID115443142
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
SMILESCC(C)Cn1cnnc1C1(CN)CCC(C)CC1
InChIInChI=1S/C14H26N4/c1-11(2)8-18-10-16-17-13(18)14(9-15)6-4-12(3)5-7-14/h10-12H,4-9,15H2,1-3H3
InChIKeyGNYDEYCFMUWRFO-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine with MolForge

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Related Compounds

[1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443141
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
CID 115443144
4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 55107399
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
3-(1-methylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395553
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
CID 115293386
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
CID 113310564
[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115443135
ethyl 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxylate
CID 79472482
[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-methylcyclohexyl]methanamine
CID 115442690
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451900

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine (CID 115443142) is [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine is CC(C)Cn1cnnc1C1(CN)CCC(C)CC1.
What is the InChIKey of [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine?
The InChIKey is GNYDEYCFMUWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)8-18-10-16-17-13(18)14(9-15)6-4-12(3)5-7-14/h10-12H,4-9,15H2,1-3H3.
What are the key properties of [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine?
[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine is sourced from PubChem (CID 115443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).