N,2,2-trimethoxyethanamine

C5H13NO3 — CID 81094639

IUPACN,2,2-trimethoxyethanamine
SMILESCONCC(OC)OC
InChIInChI=1S/C5H13NO3/c1-7-5(8-2)4-6-9-3/h5-6H,4H2,1-3H3
InChIKeyCPZBIIJJBUOEPP-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.24
Rot. Bonds5

About N,2,2-trimethoxyethanamine

N,2,2-trimethoxyethanamine (PubChem CID 81094639) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is N,2,2-trimethoxyethanamine.

Molecular Properties

Compound NameN,2,2-trimethoxyethanamine
PubChem CID81094639
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC NameN,2,2-trimethoxyethanamine
SMILESCONCC(OC)OC
InChIInChI=1S/C5H13NO3/c1-7-5(8-2)4-6-9-3/h5-6H,4H2,1-3H3
InChIKeyCPZBIIJJBUOEPP-UHFFFAOYSA-N
XLogP-0.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,2,2-trimethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethoxyethanamine?
The IUPAC name of N,2,2-trimethoxyethanamine (CID 81094639) is N,2,2-trimethoxyethanamine.
What is the SMILES notation for N,2,2-trimethoxyethanamine?
The canonical SMILES for N,2,2-trimethoxyethanamine is CONCC(OC)OC.
What is the InChIKey of N,2,2-trimethoxyethanamine?
The InChIKey is CPZBIIJJBUOEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-7-5(8-2)4-6-9-3/h5-6H,4H2,1-3H3.
What are the key properties of N,2,2-trimethoxyethanamine?
N,2,2-trimethoxyethanamine has a molecular weight of 135.16 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethoxyethanamine is sourced from PubChem (CID 81094639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).