5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine

C8H15FN2 — CID 105431012

IUPAC5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine
SMILESNC12CCN(CCCC1F)C2
InChIInChI=1S/C8H15FN2/c9-7-2-1-4-11-5-3-8(7,10)6-11/h7H,1-6,10H2
InChIKeyQJOZDQWAMRQSKU-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.52
Rot. Bonds

About 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine

5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine (PubChem CID 105431012) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine.

Molecular Properties

Compound Name5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine
PubChem CID105431012
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine
SMILESNC12CCN(CCCC1F)C2
InChIInChI=1S/C8H15FN2/c9-7-2-1-4-11-5-3-8(7,10)6-11/h7H,1-6,10H2
InChIKeyQJOZDQWAMRQSKU-UHFFFAOYSA-N
XLogP0.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine?
The IUPAC name of 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine (CID 105431012) is 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine.
What is the SMILES notation for 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine?
The canonical SMILES for 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine is NC12CCN(CCCC1F)C2.
What is the InChIKey of 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine?
The InChIKey is QJOZDQWAMRQSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-7-2-1-4-11-5-3-8(7,10)6-11/h7H,1-6,10H2.
What are the key properties of 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine?
5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine has a molecular weight of 158.22 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-azabicyclo[4.2.1]nonan-6-amine is sourced from PubChem (CID 105431012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).