1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine

C11H17N3 — CID 130547348

IUPAC1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccnc(N2CCC2)c1
InChIInChI=1S/C11H17N3/c1-9(12-2)10-4-5-13-11(8-10)14-6-3-7-14/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyXYGLBLXBGNQEOH-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine

1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine (PubChem CID 130547348) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
PubChem CID130547348
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccnc(N2CCC2)c1
InChIInChI=1S/C11H17N3/c1-9(12-2)10-4-5-13-11(8-10)14-6-3-7-14/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyXYGLBLXBGNQEOH-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]ethanamine
CID 103496916
N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
CID 114172403
N-methyl-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)-4-pyridinyl]ethanamine
CID 102744238
[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 112626014
2-[4-[1-(methylamino)ethyl]-2-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096167
1-methyl-4-[4-[1-(propylamino)ethyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 102889344
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylethanamine
CID 103496757
N-ethyl-1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]ethanamine
CID 102959126
1-[2-(4-methylsulfanylazepan-1-yl)-4-pyridinyl]ethanamine
CID 114237251
1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
CID 81103809
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
2-amino-2-(2-piperidin-1-yl-4-pyridinyl)acetic acid
CID 83896646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine (CID 130547348) is 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine is CNC(C)c1ccnc(N2CCC2)c1.
What is the InChIKey of 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine?
The InChIKey is XYGLBLXBGNQEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(12-2)10-4-5-13-11(8-10)14-6-3-7-14/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine?
1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 130547348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).