N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H26FN3 — CID 83109805

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CC2CCC(C1)N2)C(C)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3/c1-3-8-21(12(2)17-7-4-13(18)11-19-17)16-9-14-5-6-15(10-16)20-14/h4,7,11-12,14-16,20H,3,5-6,8-10H2,1-2H3
InChIKeyQHQRKLZEDAGLBG-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83109805) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83109805
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CC2CCC(C1)N2)C(C)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3/c1-3-8-21(12(2)17-7-4-13(18)11-19-17)16-9-14-5-6-15(10-16)20-14/h4,7,11-12,14-16,20H,3,5-6,8-10H2,1-2H3
InChIKeyQHQRKLZEDAGLBG-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 83109805) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C1CC2CCC(C1)N2)C(C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QHQRKLZEDAGLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-3-8-21(12(2)17-7-4-13(18)11-19-17)16-9-14-5-6-15(10-16)20-14/h4,7,11-12,14-16,20H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 291.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83109805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).