N-ethyl-1,1-dimethoxyethanamine

C6H15NO2 — CID 20509682

IUPACN-ethyl-1,1-dimethoxyethanamine
SMILESCCNC(C)(OC)OC
InChIInChI=1S/C6H15NO2/c1-5-7-6(2,8-3)9-4/h7H,5H2,1-4H3
InChIKeyWTFXKRIAPDJWSI-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.56
Rot. Bonds4

About N-ethyl-1,1-dimethoxyethanamine

N-ethyl-1,1-dimethoxyethanamine (PubChem CID 20509682) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is N-ethyl-1,1-dimethoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1,1-dimethoxyethanamine
PubChem CID20509682
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC NameN-ethyl-1,1-dimethoxyethanamine
SMILESCCNC(C)(OC)OC
InChIInChI=1S/C6H15NO2/c1-5-7-6(2,8-3)9-4/h7H,5H2,1-4H3
InChIKeyWTFXKRIAPDJWSI-UHFFFAOYSA-N
XLogP0.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dimethoxyethanamine?
The IUPAC name of N-ethyl-1,1-dimethoxyethanamine (CID 20509682) is N-ethyl-1,1-dimethoxyethanamine.
What is the SMILES notation for N-ethyl-1,1-dimethoxyethanamine?
The canonical SMILES for N-ethyl-1,1-dimethoxyethanamine is CCNC(C)(OC)OC.
What is the InChIKey of N-ethyl-1,1-dimethoxyethanamine?
The InChIKey is WTFXKRIAPDJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5-7-6(2,8-3)9-4/h7H,5H2,1-4H3.
What are the key properties of N-ethyl-1,1-dimethoxyethanamine?
N-ethyl-1,1-dimethoxyethanamine has a molecular weight of 133.19 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dimethoxyethanamine is sourced from PubChem (CID 20509682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).