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

C12H22N2O — CID 102656672

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC1(C)CNC1
InChIInChI=1S/C12H22N2O/c1-4-6-14(7-5-2)8-9-15-12(3)10-13-11-12/h4-5,13H,1-2,6-11H2,3H3
InChIKeyKJGJAWRUWMCUSB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds8

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

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 102656672) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID102656672
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC1(C)CNC1
InChIInChI=1S/C12H22N2O/c1-4-6-14(7-5-2)8-9-15-12(3)10-13-11-12/h4-5,13H,1-2,6-11H2,3H3
InChIKeyKJGJAWRUWMCUSB-UHFFFAOYSA-N
XLogP1.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
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

2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylpropan-1-amine
CID 62597128
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine
CID 62597990
N,N-diethyl-2-(3-methylazetidin-3-yl)oxyethanamine
CID 83065892
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylpropan-1-amine
CID 102656681
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
N-ethyl-N-methyl-2-(3-methylazetidin-3-yl)oxyethanamine
CID 102656721
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656727
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656730
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine (CID 102656672) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOC1(C)CNC1.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is KJGJAWRUWMCUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-14(7-5-2)8-9-15-12(3)10-13-11-12/h4-5,13H,1-2,6-11H2,3H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 102656672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).