N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine

C13H28N2O2 — CID 102656836

IUPACN-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
SMILESCOCCN(CCOC1(C)CNC1)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2)9-15(5-7-16-4)6-8-17-13(3)10-14-11-13/h12,14H,5-11H2,1-4H3
InChIKeyYBQYGEXPCVKEPG-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine

N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine (PubChem CID 102656836) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
PubChem CID102656836
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
SMILESCOCCN(CCOC1(C)CNC1)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2)9-15(5-7-16-4)6-8-17-13(3)10-14-11-13/h12,14H,5-11H2,1-4H3
InChIKeyYBQYGEXPCVKEPG-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine (CID 102656836) is N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine is COCCN(CCOC1(C)CNC1)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
The InChIKey is YBQYGEXPCVKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2)9-15(5-7-16-4)6-8-17-13(3)10-14-11-13/h12,14H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine?
N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine is sourced from PubChem (CID 102656836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).