N,2-dimethoxyethanamine

C4H11NO2 — CID 19882916

IUPACN,2-dimethoxyethanamine
SMILESCOCCNOC
InChIInChI=1S/C4H11NO2/c1-6-4-3-5-7-2/h5H,3-4H2,1-2H3
InChIKeyJPVRJWMCXVIICR-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.22
Rot. Bonds4

About N,2-dimethoxyethanamine

N,2-dimethoxyethanamine (PubChem CID 19882916) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is N,2-dimethoxyethanamine.

Molecular Properties

Compound NameN,2-dimethoxyethanamine
PubChem CID19882916
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC NameN,2-dimethoxyethanamine
SMILESCOCCNOC
InChIInChI=1S/C4H11NO2/c1-6-4-3-5-7-2/h5H,3-4H2,1-2H3
InChIKeyJPVRJWMCXVIICR-UHFFFAOYSA-N
XLogP-0.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N,2-dimethoxyethanamine?
The IUPAC name of N,2-dimethoxyethanamine (CID 19882916) is N,2-dimethoxyethanamine.
What is the SMILES notation for N,2-dimethoxyethanamine?
The canonical SMILES for N,2-dimethoxyethanamine is COCCNOC.
What is the InChIKey of N,2-dimethoxyethanamine?
The InChIKey is JPVRJWMCXVIICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-6-4-3-5-7-2/h5H,3-4H2,1-2H3.
What are the key properties of N,2-dimethoxyethanamine?
N,2-dimethoxyethanamine has a molecular weight of 105.14 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxyethanamine is sourced from PubChem (CID 19882916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).