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

C12H24N2O — CID 102656710

IUPACN-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)CCOC1(C)CNC1
InChIInChI=1S/C12H24N2O/c1-5-14(8-11(2)3)6-7-15-12(4)9-13-10-12/h13H,2,5-10H2,1,3-4H3
InChIKeyHRGDMCCKZFVJPA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds7

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

N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (PubChem CID 102656710) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
PubChem CID102656710
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)CCOC1(C)CNC1
InChIInChI=1S/C12H24N2O/c1-5-14(8-11(2)3)6-7-15-12(4)9-13-10-12/h13H,2,5-10H2,1,3-4H3
InChIKeyHRGDMCCKZFVJPA-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

2-methoxy-2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 104760377
1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine
CID 167467024
N-[2-(2-aminoethoxy)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 79479139
N,N-diethyl-2-(3-methylazetidin-3-yl)oxyethanamine
CID 83065892
Dimethyl({2-[(3-methylazetidin-3-yl)oxy]ethyl})amine
CID 83067271
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylpropan-1-amine
CID 102656681
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
CID 102656690
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
CID 102656696
N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
CID 102656717
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (CID 102656710) is N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is C=C(C)CN(CC)CCOC1(C)CNC1.
What is the InChIKey of N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The InChIKey is HRGDMCCKZFVJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-14(8-11(2)3)6-7-15-12(4)9-13-10-12/h13H,2,5-10H2,1,3-4H3.
What are the key properties of N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-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-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is sourced from PubChem (CID 102656710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).