2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine

C12H26N2O2 — CID 62558951

IUPAC2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCN1CCOCC1(C)C
InChIInChI=1S/C12H26N2O2/c1-4-15-9-6-13-5-7-14-8-10-16-11-12(14,2)3/h13H,4-11H2,1-3H3
InChIKeyRNAQPDISQJGYAG-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds7

About 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 62558951) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID62558951
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCN1CCOCC1(C)C
InChIInChI=1S/C12H26N2O2/c1-4-15-9-6-13-5-7-14-8-10-16-11-12(14,2)3/h13H,4-11H2,1-3H3
InChIKeyRNAQPDISQJGYAG-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine (CID 62558951) is 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNCCN1CCOCC1(C)C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is RNAQPDISQJGYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-15-9-6-13-5-7-14-8-10-16-11-12(14,2)3/h13H,4-11H2,1-3H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 62558951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).