4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine

C11H24N2O3 — CID 66165760

IUPAC4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCOCC1)OC
InChIInChI=1S/C11H24N2O3/c1-11(9-12,8-10(14-2)15-3)13-4-6-16-7-5-13/h10H,4-9,12H2,1-3H3
InChIKeyZIBHWWQYNMLYIW-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.05
Rot. Bonds6

About 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine

4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 66165760) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine
PubChem CID66165760
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCOCC1)OC
InChIInChI=1S/C11H24N2O3/c1-11(9-12,8-10(14-2)15-3)13-4-6-16-7-5-13/h10H,4-9,12H2,1-3H3
InChIKeyZIBHWWQYNMLYIW-UHFFFAOYSA-N
XLogP0.05
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine 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 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine (CID 66165760) is 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine is COC(CC(C)(CN)N1CCOCC1)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is ZIBHWWQYNMLYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-11(9-12,8-10(14-2)15-3)13-4-6-16-7-5-13/h10H,4-9,12H2,1-3H3.
What are the key properties of 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine?
4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 232.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 66165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).