[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine

C12H22N4O — CID 55073403

IUPAC[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
SMILESCC1CCC(OCCn2cc(CN)nn2)CC1
InChIInChI=1S/C12H22N4O/c1-10-2-4-12(5-3-10)17-7-6-16-9-11(8-13)14-15-16/h9-10,12H,2-8,13H2,1H3
InChIKeyAXJXUXNLGGSNTM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds5

About [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine

[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine (PubChem CID 55073403) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
PubChem CID55073403
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
SMILESCC1CCC(OCCn2cc(CN)nn2)CC1
InChIInChI=1S/C12H22N4O/c1-10-2-4-12(5-3-10)17-7-6-16-9-11(8-13)14-15-16/h9-10,12H,2-8,13H2,1H3
InChIKeyAXJXUXNLGGSNTM-UHFFFAOYSA-N
XLogP1.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
CID 64730831
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
CID 62455320
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
CID 66338826
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
[1-[2-(2-fluoro-3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 107661287
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
CID 106667738
[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine (CID 55073403) is [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine is CC1CCC(OCCn2cc(CN)nn2)CC1.
What is the InChIKey of [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The InChIKey is AXJXUXNLGGSNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-2-4-12(5-3-10)17-7-6-16-9-11(8-13)14-15-16/h9-10,12H,2-8,13H2,1H3.
What are the key properties of [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55073403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).