2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine

C12H26N2O3 — CID 112752590

IUPAC2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCC(CN)N1CCOCC1(C)C
InChIInChI=1S/C12H26N2O3/c1-12(2)10-17-5-4-14(12)11(8-13)9-16-7-6-15-3/h11H,4-10,13H2,1-3H3
InChIKeyRVAXEOFTZGHKEW-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.09
Rot. Bonds7

About 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine

2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 112752590) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID112752590
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCC(CN)N1CCOCC1(C)C
InChIInChI=1S/C12H26N2O3/c1-12(2)10-17-5-4-14(12)11(8-13)9-16-7-6-15-3/h11H,4-10,13H2,1-3H3
InChIKeyRVAXEOFTZGHKEW-UHFFFAOYSA-N
XLogP0.09
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine (CID 112752590) is 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCC(CN)N1CCOCC1(C)C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is RVAXEOFTZGHKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2)10-17-5-4-14(12)11(8-13)9-16-7-6-15-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine?
2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 112752590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).