N-ethoxy-2,2-dimethoxyethanamine

C6H15NO3 — CID 81095084

IUPACN-ethoxy-2,2-dimethoxyethanamine
SMILESCCONCC(OC)OC
InChIInChI=1S/C6H15NO3/c1-4-10-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3
InChIKeyIOVZNRMEDRKNIY-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.15
Rot. Bonds6

About N-ethoxy-2,2-dimethoxyethanamine

N-ethoxy-2,2-dimethoxyethanamine (PubChem CID 81095084) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is N-ethoxy-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-ethoxy-2,2-dimethoxyethanamine
PubChem CID81095084
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC NameN-ethoxy-2,2-dimethoxyethanamine
SMILESCCONCC(OC)OC
InChIInChI=1S/C6H15NO3/c1-4-10-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3
InChIKeyIOVZNRMEDRKNIY-UHFFFAOYSA-N
XLogP0.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
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 N-ethoxy-2,2-dimethoxyethanamine?
The IUPAC name of N-ethoxy-2,2-dimethoxyethanamine (CID 81095084) is N-ethoxy-2,2-dimethoxyethanamine.
What is the SMILES notation for N-ethoxy-2,2-dimethoxyethanamine?
The canonical SMILES for N-ethoxy-2,2-dimethoxyethanamine is CCONCC(OC)OC.
What is the InChIKey of N-ethoxy-2,2-dimethoxyethanamine?
The InChIKey is IOVZNRMEDRKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-4-10-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-ethoxy-2,2-dimethoxyethanamine?
N-ethoxy-2,2-dimethoxyethanamine has a molecular weight of 149.19 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2-dimethoxyethanamine is sourced from PubChem (CID 81095084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).