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

C15H27N3O — CID 104991828

IUPAC1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)C2CCOC2C)n1
InChIInChI=1S/C15H27N3O/c1-4-13(5-2)18-8-6-12(17-18)10-15(16)14-7-9-19-11(14)3/h6,8,11,13-15H,4-5,7,9-10,16H2,1-3H3
InChIKeyCDCFJPRNRFBJIM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.54
Rot. Bonds6

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

1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991828) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991828
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)C2CCOC2C)n1
InChIInChI=1S/C15H27N3O/c1-4-13(5-2)18-8-6-12(17-18)10-15(16)14-7-9-19-11(14)3/h6,8,11,13-15H,4-5,7,9-10,16H2,1-3H3
InChIKeyCDCFJPRNRFBJIM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991805
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
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
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105155729
2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 104510350
1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997936
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 81013620

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991828) is 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(N)C2CCOC2C)n1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is CDCFJPRNRFBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-13(5-2)18-8-6-12(17-18)10-15(16)14-7-9-19-11(14)3/h6,8,11,13-15H,4-5,7,9-10,16H2,1-3H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).