1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C15H27N3O — CID 104991809

IUPAC1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)C2CCCCO2)n1
InChIInChI=1S/C15H27N3O/c1-3-13(4-2)18-9-8-12(17-18)11-14(16)15-7-5-6-10-19-15/h8-9,13-15H,3-7,10-11,16H2,1-2H3
InChIKeyBOIBXFMLEKUXJI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds6

About 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991809) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991809
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)C2CCCCO2)n1
InChIInChI=1S/C15H27N3O/c1-3-13(4-2)18-9-8-12(17-18)11-14(16)15-7-5-6-10-19-15/h8-9,13-15H,3-7,10-11,16H2,1-2H3
InChIKeyBOIBXFMLEKUXJI-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991828
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991709
2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
CID 115842655
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093134
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665532
1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 79665523
1-(1-pentan-3-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105155729
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
[1-cyclopentylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227639

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991809) is 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(N)C2CCCCO2)n1.
What is the InChIKey of 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is BOIBXFMLEKUXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-13(4-2)18-9-8-12(17-18)11-14(16)15-7-5-6-10-19-15/h8-9,13-15H,3-7,10-11,16H2,1-2H3.
What are the key properties of 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).