2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine

C11H17N3O — CID 123443203

IUPAC2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine
SMILESCOC1CN(c2cc(N(C)C)ccn2)C1
InChIInChI=1S/C11H17N3O/c1-13(2)9-4-5-12-11(6-9)14-7-10(8-14)15-3/h4-6,10H,7-8H2,1-3H3
InChIKeyXYDPGJUWRKPPKM-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.98
Rot. Bonds3

About 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine

2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine (PubChem CID 123443203) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine
PubChem CID123443203
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine
SMILESCOC1CN(c2cc(N(C)C)ccn2)C1
InChIInChI=1S/C11H17N3O/c1-13(2)9-4-5-12-11(6-9)14-7-10(8-14)15-3/h4-6,10H,7-8H2,1-3H3
InChIKeyXYDPGJUWRKPPKM-UHFFFAOYSA-N
XLogP0.98
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine (CID 123443203) is 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine is COC1CN(c2cc(N(C)C)ccn2)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine?
The InChIKey is XYDPGJUWRKPPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13(2)9-4-5-12-11(6-9)14-7-10(8-14)15-3/h4-6,10H,7-8H2,1-3H3.
What are the key properties of 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine?
2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 123443203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).