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

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 112583178
1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine
CID 115938621
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 115938586
2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile
CID 112583121
N-[1-(5-fluoro-2-pyridinyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 112583154
N-[1-(5-fluoro-2-pyridinyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 114503283
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115938578
3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine
CID 103948410
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582965

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).