2,2-dimethoxy-N-methylethanamine

C5H13NO2 — CID 8503

IUPAC2,2-dimethoxy-N-methylethanamine
SMILESCNCC(OC)OC
InChIInChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3
InChIKeyHUMIEJNVCICTPJ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.18
Rot. Bonds4

About 2,2-dimethoxy-N-methylethanamine

2,2-dimethoxy-N-methylethanamine (PubChem CID 8503) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methylethanamine
PubChem CID8503
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2,2-dimethoxy-N-methylethanamine
SMILESCNCC(OC)OC
InChIInChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3
InChIKeyHUMIEJNVCICTPJ-UHFFFAOYSA-N
XLogP-0.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.18
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 2,2-dimethoxy-N-methylethanamine?
The IUPAC name of 2,2-dimethoxy-N-methylethanamine (CID 8503) is 2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methylethanamine is CNCC(OC)OC.
What is the InChIKey of 2,2-dimethoxy-N-methylethanamine?
The InChIKey is HUMIEJNVCICTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3.
What are the key properties of 2,2-dimethoxy-N-methylethanamine?
2,2-dimethoxy-N-methylethanamine has a molecular weight of 119.16 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 8503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).