2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol

C11H22N2O2 — CID 102657056

IUPAC2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCOC1(C)CNC1
InChIInChI=1S/C11H22N2O2/c1-3-4-13(5-7-14)6-8-15-11(2)9-12-10-11/h3,12,14H,1,4-10H2,2H3
InChIKeyKMKGEOXHXFRMEH-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.15
Rot. Bonds8

About 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol

2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol (PubChem CID 102657056) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol
PubChem CID102657056
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCOC1(C)CNC1
InChIInChI=1S/C11H22N2O2/c1-3-4-13(5-7-14)6-8-15-11(2)9-12-10-11/h3,12,14H,1,4-10H2,2H3
InChIKeyKMKGEOXHXFRMEH-UHFFFAOYSA-N
XLogP-0.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 102656610
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657023
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657024
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-1-amine
CID 102657025
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657026
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine
CID 102657027
2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657028
N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657055
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 103339491
2-[2-(Azetidin-3-ylidene)propyl-prop-2-enylamino]ethanol
CID 116680439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol (CID 102657056) is 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol is C=CCN(CCO)CCOC1(C)CNC1.
What is the InChIKey of 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol?
The InChIKey is KMKGEOXHXFRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-13(5-7-14)6-8-15-11(2)9-12-10-11/h3,12,14H,1,4-10H2,2H3.
What are the key properties of 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol?
2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol has a molecular weight of 214.31 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 102657056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).