N,N-diethyl-2,2-dimethoxyethanamine

C8H19NO2 — CID 21281611

IUPACN,N-diethyl-2,2-dimethoxyethanamine
SMILESCCN(CC)CC(OC)OC
InChIInChI=1S/C8H19NO2/c1-5-9(6-2)7-8(10-3)11-4/h8H,5-7H2,1-4H3
InChIKeyXAWREZAJTBLKDR-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.95
Rot. Bonds6

About N,N-diethyl-2,2-dimethoxyethanamine

N,N-diethyl-2,2-dimethoxyethanamine (PubChem CID 21281611) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethoxyethanamine
PubChem CID21281611
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC NameN,N-diethyl-2,2-dimethoxyethanamine
SMILESCCN(CC)CC(OC)OC
InChIInChI=1S/C8H19NO2/c1-5-9(6-2)7-8(10-3)11-4/h8H,5-7H2,1-4H3
InChIKeyXAWREZAJTBLKDR-UHFFFAOYSA-N
XLogP0.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
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,N-diethyl-2,2-dimethoxyethanamine?
The IUPAC name of N,N-diethyl-2,2-dimethoxyethanamine (CID 21281611) is N,N-diethyl-2,2-dimethoxyethanamine.
What is the SMILES notation for N,N-diethyl-2,2-dimethoxyethanamine?
The canonical SMILES for N,N-diethyl-2,2-dimethoxyethanamine is CCN(CC)CC(OC)OC.
What is the InChIKey of N,N-diethyl-2,2-dimethoxyethanamine?
The InChIKey is XAWREZAJTBLKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-9(6-2)7-8(10-3)11-4/h8H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-2,2-dimethoxyethanamine?
N,N-diethyl-2,2-dimethoxyethanamine has a molecular weight of 161.25 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 21281611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).