2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine

C13H26N2O — CID 102657028

IUPAC2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CCOC1(C)CNC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-6-7-15(12(2,3)4)8-9-16-13(5)10-14-11-13/h6,14H,1,7-11H2,2-5H3
InChIKeyNCXHEUPCCCBWBM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine

2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine (PubChem CID 102657028) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
PubChem CID102657028
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CCOC1(C)CNC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-6-7-15(12(2,3)4)8-9-16-13(5)10-14-11-13/h6,14H,1,7-11H2,2-5H3
InChIKeyNCXHEUPCCCBWBM-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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

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
N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657055
2-[2-(3-Methylazetidin-3-yl)oxyethyl-prop-2-enylamino]ethanol
CID 102657056
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine
CID 102657057
1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657073
N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339325

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine (CID 102657028) is 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine is C=CCN(CCOC1(C)CNC1)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
The InChIKey is NCXHEUPCCCBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-7-15(12(2,3)4)8-9-16-13(5)10-14-11-13/h6,14H,1,7-11H2,2-5H3.
What are the key properties of 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 102657028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).