1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine

C12H17F2N3 — CID 138675923

IUPAC1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(N2CC(F)(F)C2)nc1
InChIInChI=1S/C12H17F2N3/c1-8(2)11(15)9-3-4-10(16-5-9)17-6-12(13,14)7-17/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyGLIWAGNUQJXHGW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.19
Rot. Bonds3

About 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine

1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine (PubChem CID 138675923) has the molecular formula C12H17F2N3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine
PubChem CID138675923
Molecular FormulaC12H17F2N3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(N2CC(F)(F)C2)nc1
InChIInChI=1S/C12H17F2N3/c1-8(2)11(15)9-3-4-10(16-5-9)17-6-12(13,14)7-17/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyGLIWAGNUQJXHGW-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]ethanamine
CID 102744252
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876737
(1R)-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 124502902
(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114237247
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1-chloro-4-[5-(difluoromethyl)-2-pyridinyl]piperazine
CID 141282990
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine?
The IUPAC name of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine (CID 138675923) is 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine is CC(C)C(N)c1ccc(N2CC(F)(F)C2)nc1.
What is the InChIKey of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine?
The InChIKey is GLIWAGNUQJXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8(2)11(15)9-3-4-10(16-5-9)17-6-12(13,14)7-17/h3-5,8,11H,6-7,15H2,1-2H3.
What are the key properties of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine?
1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine has a molecular weight of 241.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine is sourced from PubChem (CID 138675923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).