N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine

C11H22N2O — CID 102657024

IUPACN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=CCN(CC)CCOC1(C)CNC1
InChIInChI=1S/C11H22N2O/c1-4-6-13(5-2)7-8-14-11(3)9-12-10-11/h4,12H,1,5-10H2,2-3H3
InChIKeyBIAGSZPSEJDCSB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds7

About N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine

N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (PubChem CID 102657024) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
PubChem CID102657024
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=CCN(CC)CCOC1(C)CNC1
InChIInChI=1S/C11H22N2O/c1-4-6-13(5-2)7-8-14-11(3)9-12-10-11/h4,12H,1,5-10H2,2-3H3
InChIKeyBIAGSZPSEJDCSB-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-pent-4-enoxyazetidine
CID 83067660
N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]ethane-1,2-diamine
CID 102656937
N-(2-methoxyethyl)-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656836
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclobutanamine
CID 102657060
3-ethoxy-3-methylazetidine
CID 83066072
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-2-amine
CID 102657031
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylsulfanylethyl)ethanamine
CID 102657036
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 103339377
3-methyl-3-octoxyazetidine
CID 83065433
N,N-dimethyl-1-[[methyl-[2-(3-methylazetidin-3-yl)oxyethyl]amino]methyl]cyclobutan-1-amine
CID 102657082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (CID 102657024) is N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is C=CCN(CC)CCOC1(C)CNC1.
What is the InChIKey of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The InChIKey is BIAGSZPSEJDCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-13(5-2)7-8-14-11(3)9-12-10-11/h4,12H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is sourced from PubChem (CID 102657024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).