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

C12H22N2O — CID 102657027

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C12H22N2O/c1-3-6-14(11-4-5-11)7-8-15-12(2)9-13-10-12/h3,11,13H,1,4-10H2,2H3
InChIKeyZMZYTRZXPIPPAL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds7

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

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine (PubChem CID 102657027) 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-enylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine
PubChem CID102657027
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C12H22N2O/c1-3-6-14(11-4-5-11)7-8-15-12(2)9-13-10-12/h3,11,13H,1,4-10H2,2H3
InChIKeyZMZYTRZXPIPPAL-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
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-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
CID 102656722
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
CID 102656723
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylcyclopropanamine
CID 102656729
N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
CID 102656818
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
CID 102656824
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopropanamine
CID 102656840
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-enylcyclopropanamine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine (CID 102657027) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine is C=CCN(CCOC1(C)CNC1)C1CC1.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine?
The InChIKey is ZMZYTRZXPIPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-14(11-4-5-11)7-8-15-12(2)9-13-10-12/h3,11,13H,1,4-10H2,2H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylcyclopropanamine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 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-enylcyclopropanamine is sourced from PubChem (CID 102657027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).