2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

C12H26N2O2 — CID 102656936

IUPAC2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCCOCCN(CC)CCOC1(C)CNC1
InChIInChI=1S/C12H26N2O2/c1-4-14(6-8-15-5-2)7-9-16-12(3)10-13-11-12/h13H,4-11H2,1-3H3
InChIKeyPIUGBZNGPBKNLS-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds9

About 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine

2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (PubChem CID 102656936) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
PubChem CID102656936
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
SMILESCCOCCN(CC)CCOC1(C)CNC1
InChIInChI=1S/C12H26N2O2/c1-4-14(6-8-15-5-2)7-9-16-12(3)10-13-11-12/h13H,4-11H2,1-3H3
InChIKeyPIUGBZNGPBKNLS-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxy-3-methylazetidine
CID 83066072
[2-(Azetidin-3-yloxy)ethyl]diethylamine
CID 63105151
8-Methyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 82651307
[(3-Methoxyazetidin-3-yl)methyl]dimethylamine
CID 137437565
2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656759
N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656851
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102656855
3,3,3-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656923
3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656974
2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102657014
2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102657058
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 113721346

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine (CID 102656936) is 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is CCOCCN(CC)CCOC1(C)CNC1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
The InChIKey is PIUGBZNGPBKNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-14(6-8-15-5-2)7-9-16-12(3)10-13-11-12/h13H,4-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine?
2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine is sourced from PubChem (CID 102656936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).