1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine

C15H27N3O — CID 64799315

IUPAC1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
SMILESCCC(CC)n1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2)18-8-7-14(17-18)11-16-10-13-6-5-9-19-12-13/h7-8,13,15-16H,3-6,9-12H2,1-2H3
InChIKeyQUALZMDOWWPYDC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds7

About 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine

1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine (PubChem CID 64799315) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
PubChem CID64799315
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
SMILESCCC(CC)n1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C15H27N3O/c1-3-15(4-2)18-8-7-14(17-18)11-16-10-13-6-5-9-19-12-13/h7-8,13,15-16H,3-6,9-12H2,1-2H3
InChIKeyQUALZMDOWWPYDC-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine (CID 64799315) is 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine is CCC(CC)n1ccc(CNCC2CCCOC2)n1.
What is the InChIKey of 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
The InChIKey is QUALZMDOWWPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-15(4-2)18-8-7-14(17-18)11-16-10-13-6-5-9-19-12-13/h7-8,13,15-16H,3-6,9-12H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine?
1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 64799315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).