3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine

C8H15FN2 — CID 105431021

IUPAC3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC1(N)C(F)CN2CCC1C2
InChIInChI=1S/C8H15FN2/c1-8(10)6-2-3-11(4-6)5-7(8)9/h6-7H,2-5,10H2,1H3
InChIKeySGPDQHNYZNODRW-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.38
Rot. Bonds

About 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine

3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105431021) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105431021
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC1(N)C(F)CN2CCC1C2
InChIInChI=1S/C8H15FN2/c1-8(10)6-2-3-11(4-6)5-7(8)9/h6-7H,2-5,10H2,1H3
InChIKeySGPDQHNYZNODRW-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine (CID 105431021) is 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine is CC1(N)C(F)CN2CCC1C2.
What is the InChIKey of 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is SGPDQHNYZNODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-8(10)6-2-3-11(4-6)5-7(8)9/h6-7H,2-5,10H2,1H3.
What are the key properties of 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine?
3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 158.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105431021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).