1,1,2-trimethoxyethanamine

C5H13NO3 — CID 54365567

IUPAC1,1,2-trimethoxyethanamine
SMILESCOCC(N)(OC)OC
InChIInChI=1S/C5H13NO3/c1-7-4-5(6,8-2)9-3/h4,6H2,1-3H3
InChIKeyUPNJBWKFGDOREN-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.46
Rot. Bonds4

About 1,1,2-trimethoxyethanamine

1,1,2-trimethoxyethanamine (PubChem CID 54365567) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 1,1,2-trimethoxyethanamine.

Molecular Properties

Compound Name1,1,2-trimethoxyethanamine
PubChem CID54365567
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1,1,2-trimethoxyethanamine
SMILESCOCC(N)(OC)OC
InChIInChI=1S/C5H13NO3/c1-7-4-5(6,8-2)9-3/h4,6H2,1-3H3
InChIKeyUPNJBWKFGDOREN-UHFFFAOYSA-N
XLogP-0.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1,2-trimethoxyethanamine?
The IUPAC name of 1,1,2-trimethoxyethanamine (CID 54365567) is 1,1,2-trimethoxyethanamine.
What is the SMILES notation for 1,1,2-trimethoxyethanamine?
The canonical SMILES for 1,1,2-trimethoxyethanamine is COCC(N)(OC)OC.
What is the InChIKey of 1,1,2-trimethoxyethanamine?
The InChIKey is UPNJBWKFGDOREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-7-4-5(6,8-2)9-3/h4,6H2,1-3H3.
What are the key properties of 1,1,2-trimethoxyethanamine?
1,1,2-trimethoxyethanamine has a molecular weight of 135.16 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxyethanamine is sourced from PubChem (CID 54365567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).