N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride

C7H18Cl2N2O — CID 137347103

IUPACN-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride
SMILESCOCCN(C)C1CNC1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9(3-4-10-2)7-5-8-6-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKeyNHLURNQIIQRFRK-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.38
Rot. Bonds4

About N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride

N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride (PubChem CID 137347103) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride
PubChem CID137347103
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC NameN-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride
SMILESCOCCN(C)C1CNC1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9(3-4-10-2)7-5-8-6-7;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKeyNHLURNQIIQRFRK-UHFFFAOYSA-N
XLogP0.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride?
The IUPAC name of N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride (CID 137347103) is N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride is COCCN(C)C1CNC1.Cl.Cl.
What is the InChIKey of N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride?
The InChIKey is NHLURNQIIQRFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c1-9(3-4-10-2)7-5-8-6-7;;/h7-8H,3-6H2,1-2H3;2*1H.
What are the key properties of N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride?
N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 137347103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).