N-ethyl-2-methoxyethanamine

C5H13NO — CID 546877

IUPACN-ethyl-2-methoxyethanamine
SMILESCCNCCOC
InChIInChI=1S/C5H13NO/c1-3-6-4-5-7-2/h6H,3-5H2,1-2H3
InChIKeyVGEMYWDUTPQWBN-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.24
Rot. Bonds4

About N-ethyl-2-methoxyethanamine

N-ethyl-2-methoxyethanamine (PubChem CID 546877) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxyethanamine
PubChem CID546877
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-ethyl-2-methoxyethanamine
SMILESCCNCCOC
InChIInChI=1S/C5H13NO/c1-3-6-4-5-7-2/h6H,3-5H2,1-2H3
InChIKeyVGEMYWDUTPQWBN-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2-methoxyethanamine?
The IUPAC name of N-ethyl-2-methoxyethanamine (CID 546877) is N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-ethyl-2-methoxyethanamine is CCNCCOC.
What is the InChIKey of N-ethyl-2-methoxyethanamine?
The InChIKey is VGEMYWDUTPQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-3-6-4-5-7-2/h6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-methoxyethanamine?
N-ethyl-2-methoxyethanamine has a molecular weight of 103.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 546877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).