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

C16H28N4 — CID 115443144

IUPAC[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nncn2C2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13-7-9-16(11-17,10-8-13)15-19-18-12-20(15)14-5-3-2-4-6-14/h12-14H,2-11,17H2,1H3
InChIKeyIMYUAYBBBUZNEK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.19
Rot. Bonds3

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

[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine (PubChem CID 115443144) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
PubChem CID115443144
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nncn2C2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13-7-9-16(11-17,10-8-13)15-19-18-12-20(15)14-5-3-2-4-6-14/h12-14H,2-11,17H2,1H3
InChIKeyIMYUAYBBBUZNEK-UHFFFAOYSA-N
XLogP3.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]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)cyclopropyl]methanamine
CID 115451900
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
CID 115443142
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-ethylpiperidine
CID 63136121
[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115443135
2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine
CID 82764950
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
CID 113310564
[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-methylcyclohexyl]methanamine
CID 115442690
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine (CID 115443144) is [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(c2nncn2C2CCCCC2)CC1.
What is the InChIKey of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is IMYUAYBBBUZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-7-9-16(11-17,10-8-13)15-19-18-12-20(15)14-5-3-2-4-6-14/h12-14H,2-11,17H2,1H3.
What are the key properties of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine?
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 276.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexyl-1,2,4-triazol-3-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 115443144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).