N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C15H24N4 — CID 46988170

IUPACN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCn1cc(CNC2CN3CCC2CC3)c(C)n1
InChIInChI=1S/C15H24N4/c1-3-6-19-10-14(12(2)17-19)9-16-15-11-18-7-4-13(15)5-8-18/h3,10,13,15-16H,1,4-9,11H2,2H3
InChIKeyQAFKFOJJDSNZCA-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.56
Rot. Bonds5

About N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 46988170) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID46988170
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCn1cc(CNC2CN3CCC2CC3)c(C)n1
InChIInChI=1S/C15H24N4/c1-3-6-19-10-14(12(2)17-19)9-16-15-11-18-7-4-13(15)5-8-18/h3,10,13,15-16H,1,4-9,11H2,2H3
InChIKeyQAFKFOJJDSNZCA-UHFFFAOYSA-N
XLogP1.56
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
CID 46989875
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763566
N-[(1-ethenylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106935342
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
N-[(1-methylpyrazol-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82866707
N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 142748266
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 104573769
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 46988170) is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is C=CCn1cc(CNC2CN3CCC2CC3)c(C)n1.
What is the InChIKey of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is QAFKFOJJDSNZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-6-19-10-14(12(2)17-19)9-16-15-11-18-7-4-13(15)5-8-18/h3,10,13,15-16H,1,4-9,11H2,2H3.
What are the key properties of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 46988170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).