8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C13H22N4 — CID 62127131

IUPAC8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCn1cc(CN2C3CCC2CC(N)C3)cn1
InChIInChI=1S/C13H22N4/c1-2-16-8-10(7-15-16)9-17-12-3-4-13(17)6-11(14)5-12/h7-8,11-13H,2-6,9,14H2,1H3
InChIKeyILKASMDWKSOSCS-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds3

About 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62127131) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62127131
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCn1cc(CN2C3CCC2CC(N)C3)cn1
InChIInChI=1S/C13H22N4/c1-2-16-8-10(7-15-16)9-17-12-3-4-13(17)6-11(14)5-12/h7-8,11-13H,2-6,9,14H2,1H3
InChIKeyILKASMDWKSOSCS-UHFFFAOYSA-N
XLogP1.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62127131) is 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCn1cc(CN2C3CCC2CC(N)C3)cn1.
What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ILKASMDWKSOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-16-8-10(7-15-16)9-17-12-3-4-13(17)6-11(14)5-12/h7-8,11-13H,2-6,9,14H2,1H3.
What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62127131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).