1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine

C6H14NO3- — CID 163496721

IUPAC1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine
SMILESCCOCCOCN(C)[O-]
InChIInChI=1S/C6H14NO3/c1-3-9-4-5-10-6-7(2)8/h3-6H2,1-2H3/q-1
InChIKeyDQTOOCMJBZPLLZ-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.43
Rot. Bonds6

About 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine

1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine (PubChem CID 163496721) has the molecular formula C6H14NO3- and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine
PubChem CID163496721
Molecular FormulaC6H14NO3-
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine
SMILESCCOCCOCN(C)[O-]
InChIInChI=1S/C6H14NO3/c1-3-9-4-5-10-6-7(2)8/h3-6H2,1-2H3/q-1
InChIKeyDQTOOCMJBZPLLZ-UHFFFAOYSA-N
XLogP0.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine?
The IUPAC name of 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine (CID 163496721) is 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine.
What is the SMILES notation for 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine?
The canonical SMILES for 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine is CCOCCOCN(C)[O-].
What is the InChIKey of 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine?
The InChIKey is DQTOOCMJBZPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3/c1-3-9-4-5-10-6-7(2)8/h3-6H2,1-2H3/q-1.
What are the key properties of 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine?
1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine has a molecular weight of 148.18 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-N-methyl-N-oxidomethanamine is sourced from PubChem (CID 163496721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).