N-(2-methoxyethyl)-1-methylazetidin-3-amine

C7H16N2O — CID 45087997

IUPACN-(2-methoxyethyl)-1-methylazetidin-3-amine
SMILESCOCCNC1CN(C)C1
InChIInChI=1S/C7H16N2O/c1-9-5-7(6-9)8-3-4-10-2/h7-8H,3-6H2,1-2H3
InChIKeyWVZZGFXEVCZBAC-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.46
Rot. Bonds4

About N-(2-methoxyethyl)-1-methylazetidin-3-amine

N-(2-methoxyethyl)-1-methylazetidin-3-amine (PubChem CID 45087997) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylazetidin-3-amine
PubChem CID45087997
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(2-methoxyethyl)-1-methylazetidin-3-amine
SMILESCOCCNC1CN(C)C1
InChIInChI=1S/C7H16N2O/c1-9-5-7(6-9)8-3-4-10-2/h7-8H,3-6H2,1-2H3
InChIKeyWVZZGFXEVCZBAC-UHFFFAOYSA-N
XLogP-0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylazetidin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methylazetidin-3-amine (CID 45087997) is N-(2-methoxyethyl)-1-methylazetidin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylazetidin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methylazetidin-3-amine is COCCNC1CN(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylazetidin-3-amine?
The InChIKey is WVZZGFXEVCZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-5-7(6-9)8-3-4-10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methylazetidin-3-amine?
N-(2-methoxyethyl)-1-methylazetidin-3-amine has a molecular weight of 144.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylazetidin-3-amine is sourced from PubChem (CID 45087997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).