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

C12H24N2O2 — CID 103339491

IUPACN-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CCOC1(C)CNC1
InChIInChI=1S/C12H24N2O2/c1-4-5-14(6-8-15-3)7-9-16-12(2)10-13-11-12/h4,13H,1,5-11H2,2-3H3
InChIKeyPOIPNQMUGZSIAK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.50
Rot. Bonds9

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

N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (PubChem CID 103339491) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
PubChem CID103339491
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CCOC1(C)CNC1
InChIInChI=1S/C12H24N2O2/c1-4-5-14(6-8-15-3)7-9-16-12(2)10-13-11-12/h4,13H,1,5-11H2,2-3H3
InChIKeyPOIPNQMUGZSIAK-UHFFFAOYSA-N
XLogP0.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-methoxy-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656806
N-ethyl-2-methoxy-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656820
2-ethoxy-N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656936
2-ethoxy-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102657009
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (CID 103339491) is N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is C=CCN(CCOC)CCOC1(C)CNC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The InChIKey is POIPNQMUGZSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-14(6-8-15-3)7-9-16-12(2)10-13-11-12/h4,13H,1,5-11H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is sourced from PubChem (CID 103339491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).