3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine

C10H18FN — CID 115013911

IUPAC3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine
SMILESCC1(F)CC2CCCC(C1)C2N
InChIInChI=1S/C10H18FN/c1-10(11)5-7-3-2-4-8(6-10)9(7)12/h7-9H,2-6,12H2,1H3
InChIKeyCLQZYDIGFVDJCT-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.25
Rot. Bonds

About 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine

3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine (PubChem CID 115013911) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine
PubChem CID115013911
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine
SMILESCC1(F)CC2CCCC(C1)C2N
InChIInChI=1S/C10H18FN/c1-10(11)5-7-3-2-4-8(6-10)9(7)12/h7-9H,2-6,12H2,1H3
InChIKeyCLQZYDIGFVDJCT-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine (CID 115013911) is 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine is CC1(F)CC2CCCC(C1)C2N.
What is the InChIKey of 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine?
The InChIKey is CLQZYDIGFVDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-10(11)5-7-3-2-4-8(6-10)9(7)12/h7-9H,2-6,12H2,1H3.
What are the key properties of 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine?
3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine has a molecular weight of 171.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 115013911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).