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

C12H24N2O — CID 102657026

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CCOC1(C)CNC1)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-14(11(2)3)7-8-15-12(4)9-13-10-12/h5,11,13H,1,6-10H2,2-4H3
InChIKeyHKKLKRIFQXOKKA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds7

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

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine (PubChem CID 102657026) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
PubChem CID102657026
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(CCOC1(C)CNC1)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-14(11(2)3)7-8-15-12(4)9-13-10-12/h5,11,13H,1,6-10H2,2-4H3
InChIKeyHKKLKRIFQXOKKA-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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
Methyl({2-[(3-methylazetidin-3-yl)oxy]ethyl})(propan-2-yl)amine
CID 102656701
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-2-amine
CID 102656724
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine
CID 102656728
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-2-amine
CID 102656732
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-2-amine
CID 102656734
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-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-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine (CID 102657026) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine is C=CCN(CCOC1(C)CNC1)C(C)C.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
The InChIKey is HKKLKRIFQXOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-14(11(2)3)7-8-15-12(4)9-13-10-12/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 7 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-enylpropan-2-amine is sourced from PubChem (CID 102657026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).