2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine

C12H19N3O — CID 122182213

IUPAC2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(N2CCC2)c1
InChIInChI=1S/C12H19N3O/c1-14(2)6-7-16-12-8-11(9-13-10-12)15-4-3-5-15/h8-10H,3-7H2,1-2H3
InChIKeyWTCYXSGBHCPBQL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.23
Rot. Bonds5

About 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 122182213) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID122182213
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(N2CCC2)c1
InChIInChI=1S/C12H19N3O/c1-14(2)6-7-16-12-8-11(9-13-10-12)15-4-3-5-15/h8-10H,3-7H2,1-2H3
InChIKeyWTCYXSGBHCPBQL-UHFFFAOYSA-N
XLogP1.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine (CID 122182213) is 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1cncc(N2CCC2)c1.
What is the InChIKey of 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is WTCYXSGBHCPBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14(2)6-7-16-12-8-11(9-13-10-12)15-4-3-5-15/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(azetidin-1-yl)-3-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 122182213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).