N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine

C12H24N2O2 — CID 102656824

IUPACN-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
SMILESCOCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C12H24N2O2/c1-12(9-13-10-12)16-8-6-14(5-7-15-2)11-3-4-11/h11,13H,3-10H2,1-2H3
InChIKeyBFRUWXKJWIXWPA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds8

About N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine

N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine (PubChem CID 102656824) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
PubChem CID102656824
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine
SMILESCOCCN(CCOC1(C)CNC1)C1CC1
InChIInChI=1S/C12H24N2O2/c1-12(9-13-10-12)16-8-6-14(5-7-15-2)11-3-4-11/h11,13H,3-10H2,1-2H3
InChIKeyBFRUWXKJWIXWPA-UHFFFAOYSA-N
XLogP0.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine (CID 102656824) is N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine is COCCN(CCOC1(C)CNC1)C1CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
The InChIKey is BFRUWXKJWIXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(9-13-10-12)16-8-6-14(5-7-15-2)11-3-4-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine?
N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine has a molecular weight of 228.34 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclopropanamine is sourced from PubChem (CID 102656824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).