N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H26FN3 — CID 115938758

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(NC1CC2CCCC(C1)N2C)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3/c1-3-16(17-8-7-12(18)11-19-17)20-13-9-14-5-4-6-15(10-13)21(14)2/h7-8,11,13-16,20H,3-6,9-10H2,1-2H3
InChIKeyQFNURKDFNSFALO-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 115938758) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID115938758
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC(NC1CC2CCCC(C1)N2C)c1ccc(F)cn1
InChIInChI=1S/C17H26FN3/c1-3-16(17-8-7-12(18)11-19-17)20-13-9-14-5-4-6-15(10-13)21(14)2/h7-8,11,13-16,20H,3-6,9-10H2,1-2H3
InChIKeyQFNURKDFNSFALO-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 115938758) is N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCC(NC1CC2CCCC(C1)N2C)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QFNURKDFNSFALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-3-16(17-8-7-12(18)11-19-17)20-13-9-14-5-4-6-15(10-13)21(14)2/h7-8,11,13-16,20H,3-6,9-10H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 291.41 g/mol, XLogP of 3.28, 4 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)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 115938758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).