1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine

C13H23N3O — CID 64771447

IUPAC1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C13H23N3O/c1-11(2)16-6-5-13(15-16)9-14-8-12-4-3-7-17-10-12/h5-6,11-12,14H,3-4,7-10H2,1-2H3
InChIKeyZCXJWIMEHUPEBN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds5

About 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine

1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (PubChem CID 64771447) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
PubChem CID64771447
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C13H23N3O/c1-11(2)16-6-5-13(15-16)9-14-8-12-4-3-7-17-10-12/h5-6,11-12,14H,3-4,7-10H2,1-2H3
InChIKeyZCXJWIMEHUPEBN-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
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-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (CID 64771447) is 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is CC(C)n1ccc(CNCC2CCCOC2)n1.
What is the InChIKey of 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The InChIKey is ZCXJWIMEHUPEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16-6-5-13(15-16)9-14-8-12-4-3-7-17-10-12/h5-6,11-12,14H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 5 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-propan-2-ylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 64771447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).