8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H24N4 — CID 64771332

IUPAC8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)n1ccc(CN2C3CCC2CC(N)C3)n1
InChIInChI=1S/C14H24N4/c1-10(2)18-6-5-12(16-18)9-17-13-3-4-14(17)8-11(15)7-13/h5-6,10-11,13-14H,3-4,7-9,15H2,1-2H3
InChIKeyPRJBEXBJNKUSKG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds3

About 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 64771332) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID64771332
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)n1ccc(CN2C3CCC2CC(N)C3)n1
InChIInChI=1S/C14H24N4/c1-10(2)18-6-5-12(16-18)9-17-13-3-4-14(17)8-11(15)7-13/h5-6,10-11,13-14H,3-4,7-9,15H2,1-2H3
InChIKeyPRJBEXBJNKUSKG-UHFFFAOYSA-N
XLogP1.92
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 64771332) is 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CC(C)n1ccc(CN2C3CCC2CC(N)C3)n1.
What is the InChIKey of 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PRJBEXBJNKUSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)18-6-5-12(16-18)9-17-13-3-4-14(17)8-11(15)7-13/h5-6,10-11,13-14H,3-4,7-9,15H2,1-2H3.
What are the key properties of 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 64771332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).