8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C13H18FN3 — CID 114084592

IUPAC8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cncc(F)c1
InChIInChI=1S/C13H18FN3/c14-10-3-9(6-16-7-10)8-17-12-1-2-13(17)5-11(15)4-12/h3,6-7,11-13H,1-2,4-5,8,15H2
InChIKeyPXJFHSLAQMLFBJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.67
Rot. Bonds2

About 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114084592) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114084592
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cncc(F)c1
InChIInChI=1S/C13H18FN3/c14-10-3-9(6-16-7-10)8-17-12-1-2-13(17)5-11(15)4-12/h3,6-7,11-13H,1-2,4-5,8,15H2
InChIKeyPXJFHSLAQMLFBJ-UHFFFAOYSA-N
XLogP1.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 114084592) is 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1cncc(F)c1.
What is the InChIKey of 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PXJFHSLAQMLFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c14-10-3-9(6-16-7-10)8-17-12-1-2-13(17)5-11(15)4-12/h3,6-7,11-13H,1-2,4-5,8,15H2.
What are the key properties of 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 235.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114084592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).