[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine

C13H24N4O — CID 64730831

IUPAC[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
SMILESCC1CC(C)CC(OCCn2cc(CN)nn2)C1
InChIInChI=1S/C13H24N4O/c1-10-5-11(2)7-13(6-10)18-4-3-17-9-12(8-14)15-16-17/h9-11,13H,3-8,14H2,1-2H3
InChIKeyYFPDRQCULWTQGH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.58
Rot. Bonds5

About [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine

[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine (PubChem CID 64730831) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
PubChem CID64730831
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
SMILESCC1CC(C)CC(OCCn2cc(CN)nn2)C1
InChIInChI=1S/C13H24N4O/c1-10-5-11(2)7-13(6-10)18-4-3-17-9-12(8-14)15-16-17/h9-11,13H,3-8,14H2,1-2H3
InChIKeyYFPDRQCULWTQGH-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
CID 55073403
[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
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
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine (CID 64730831) is [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine is CC1CC(C)CC(OCCn2cc(CN)nn2)C1.
What is the InChIKey of [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The InChIKey is YFPDRQCULWTQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-5-11(2)7-13(6-10)18-4-3-17-9-12(8-14)15-16-17/h9-11,13H,3-8,14H2,1-2H3.
What are the key properties of [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
[1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-dimethylcyclohexyl)oxyethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 64730831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).