3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine

C13H24FN — CID 170140638

IUPAC3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine
SMILESNC1(CCCCF)CC2CCCC(C2)C1
InChIInChI=1S/C13H24FN/c14-7-2-1-6-13(15)9-11-4-3-5-12(8-11)10-13/h11-12H,1-10,15H2
InChIKeyUKWXFKMLFQLLEN-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.42
Rot. Bonds4

About 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine

3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine (PubChem CID 170140638) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine
PubChem CID170140638
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine
SMILESNC1(CCCCF)CC2CCCC(C2)C1
InChIInChI=1S/C13H24FN/c14-7-2-1-6-13(15)9-11-4-3-5-12(8-11)10-13/h11-12H,1-10,15H2
InChIKeyUKWXFKMLFQLLEN-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine (CID 170140638) is 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine is NC1(CCCCF)CC2CCCC(C2)C1.
What is the InChIKey of 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine?
The InChIKey is UKWXFKMLFQLLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c14-7-2-1-6-13(15)9-11-4-3-5-12(8-11)10-13/h11-12H,1-10,15H2.
What are the key properties of 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine?
3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine has a molecular weight of 213.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutyl)bicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 170140638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).