2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine

C13H24N4O — CID 113395337

IUPAC2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
SMILESCC(C)Cn1ncnc1COC1CCCCC1N
InChIInChI=1S/C13H24N4O/c1-10(2)7-17-13(15-9-16-17)8-18-12-6-4-3-5-11(12)14/h9-12H,3-8,14H2,1-2H3
InChIKeyOZDGBWNRUJWTBZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.72
Rot. Bonds5

About 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine

2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine (PubChem CID 113395337) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
PubChem CID113395337
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
SMILESCC(C)Cn1ncnc1COC1CCCCC1N
InChIInChI=1S/C13H24N4O/c1-10(2)7-17-13(15-9-16-17)8-18-12-6-4-3-5-11(12)14/h9-12H,3-8,14H2,1-2H3
InChIKeyOZDGBWNRUJWTBZ-UHFFFAOYSA-N
XLogP1.72
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine
CID 106938978
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
5-[(3-methylazetidin-3-yl)oxymethyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 83067656
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065
1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 107189619
2-cyclopentyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpropan-1-amine
CID 115926635
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine?
The IUPAC name of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine (CID 113395337) is 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine.
What is the SMILES notation for 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine?
The canonical SMILES for 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine is CC(C)Cn1ncnc1COC1CCCCC1N.
What is the InChIKey of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine?
The InChIKey is OZDGBWNRUJWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)7-17-13(15-9-16-17)8-18-12-6-4-3-5-11(12)14/h9-12H,3-8,14H2,1-2H3.
What are the key properties of 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine?
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine is sourced from PubChem (CID 113395337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).