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

C15H26N4 — CID 43763566

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)c1nn(C)cc1CNC1CN2CCC1CC2
InChIInChI=1S/C15H26N4/c1-11(2)15-13(9-18(3)17-15)8-16-14-10-19-6-4-12(14)5-7-19/h9,11-12,14,16H,4-8,10H2,1-3H3
InChIKeyXLKJXFYTRWFYGV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.73
Rot. Bonds4

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

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43763566) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43763566
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)c1nn(C)cc1CNC1CN2CCC1CC2
InChIInChI=1S/C15H26N4/c1-11(2)15-13(9-18(3)17-15)8-16-14-10-19-6-4-12(14)5-7-19/h9,11-12,14,16H,4-8,10H2,1-3H3
InChIKeyXLKJXFYTRWFYGV-UHFFFAOYSA-N
XLogP1.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(1-methylpyrazol-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82866707
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 46988170
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79862119
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 43791284
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
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
2,2,6,6-tetramethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 43769646
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43763566) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is CC(C)c1nn(C)cc1CNC1CN2CCC1CC2.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XLKJXFYTRWFYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)15-13(9-18(3)17-15)8-16-14-10-19-6-4-12(14)5-7-19/h9,11-12,14,16H,4-8,10H2,1-3H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43763566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).