2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C15H27N3O — CID 55220028

IUPAC2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCOC1CCCCC1
InChIInChI=1S/C15H27N3O/c1-12-15(13(2)18(3)17-12)11-16-9-10-19-14-7-5-4-6-8-14/h14,16H,4-11H2,1-3H3
InChIKeyAICYEOFILSRUJU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.48
Rot. Bonds6

About 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 55220028) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID55220028
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCOC1CCCCC1
InChIInChI=1S/C15H27N3O/c1-12-15(13(2)18(3)17-12)11-16-9-10-19-14-7-5-4-6-8-14/h14,16H,4-11H2,1-3H3
InChIKeyAICYEOFILSRUJU-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyloxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989836
2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63828555
1-(3-cyclohexyloxypropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111397549
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 61239722
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 55220028) is 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNCCOC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is AICYEOFILSRUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-15(13(2)18(3)17-12)11-16-9-10-19-14-7-5-4-6-8-14/h14,16H,4-11H2,1-3H3.
What are the key properties of 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 55220028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).