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

C11H22N2O — CID 102657055

IUPACN,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CCOC1(C)CNC1
InChIInChI=1S/C11H22N2O/c1-10(2)7-13(4)5-6-14-11(3)8-12-9-11/h12H,1,5-9H2,2-4H3
InChIKeyHVFHOHKSZIYLOM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds6

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

N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (PubChem CID 102657055) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
PubChem CID102657055
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=C(C)CN(C)CCOC1(C)CNC1
InChIInChI=1S/C11H22N2O/c1-10(2)7-13(4)5-6-14-11(3)8-12-9-11/h12H,1,5-9H2,2-4H3
InChIKeyHVFHOHKSZIYLOM-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
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-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
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

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (CID 102657055) is N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is C=C(C)CN(C)CCOC1(C)CNC1.
What is the InChIKey of N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The InChIKey is HVFHOHKSZIYLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)7-13(4)5-6-14-11(3)8-12-9-11/h12H,1,5-9H2,2-4H3.
What are the key properties of N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is sourced from PubChem (CID 102657055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).