1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine

C11H19FN2 — CID 130847097

IUPAC1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine
SMILESCNC1(CN2CCC=C(F)C2)CCC1
InChIInChI=1S/C11H19FN2/c1-13-11(5-3-6-11)9-14-7-2-4-10(12)8-14/h4,13H,2-3,5-9H2,1H3
InChIKeyGYXRPXXSBQVNNC-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.69
Rot. Bonds3

About 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine

1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine (PubChem CID 130847097) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine
PubChem CID130847097
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine
SMILESCNC1(CN2CCC=C(F)C2)CCC1
InChIInChI=1S/C11H19FN2/c1-13-11(5-3-6-11)9-14-7-2-4-10(12)8-14/h4,13H,2-3,5-9H2,1H3
InChIKeyGYXRPXXSBQVNNC-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine?
The IUPAC name of 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine (CID 130847097) is 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine is CNC1(CN2CCC=C(F)C2)CCC1.
What is the InChIKey of 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine?
The InChIKey is GYXRPXXSBQVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-13-11(5-3-6-11)9-14-7-2-4-10(12)8-14/h4,13H,2-3,5-9H2,1H3.
What are the key properties of 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine?
1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine has a molecular weight of 198.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 130847097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).