1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C15H28N4O — CID 116766229

IUPAC1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCOC1(C(N)Cc2ncnn2C(C)C)CCC(C)CC1
InChIInChI=1S/C15H28N4O/c1-11(2)19-14(17-10-18-19)9-13(16)15(20-4)7-5-12(3)6-8-15/h10-13H,5-9,16H2,1-4H3
InChIKeyXXXBCDSHBJMHEG-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.32
Rot. Bonds5

About 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 116766229) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID116766229
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCOC1(C(N)Cc2ncnn2C(C)C)CCC(C)CC1
InChIInChI=1S/C15H28N4O/c1-11(2)19-14(17-10-18-19)9-13(16)15(20-4)7-5-12(3)6-8-15/h10-13H,5-9,16H2,1-4H3
InChIKeyXXXBCDSHBJMHEG-UHFFFAOYSA-N
XLogP2.32
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277166
1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999458
1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 116754610
1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104610733
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317373
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074801
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766289
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 116766229) is 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is COC1(C(N)Cc2ncnn2C(C)C)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is XXXBCDSHBJMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)19-14(17-10-18-19)9-13(16)15(20-4)7-5-12(3)6-8-15/h10-13H,5-9,16H2,1-4H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 116766229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).