4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one

C11H22N2O2 — CID 112546842

IUPAC4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one
SMILESCNCCCN1C(=O)COCC1C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)10-7-15-8-11(14)13(10)6-4-5-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWFNNPPZOXPCMFA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds5

About 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one

4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one (PubChem CID 112546842) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one
PubChem CID112546842
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one
SMILESCNCCCN1C(=O)COCC1C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)10-7-15-8-11(14)13(10)6-4-5-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWFNNPPZOXPCMFA-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one?
The IUPAC name of 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one (CID 112546842) is 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one?
The canonical SMILES for 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one is CNCCCN1C(=O)COCC1C(C)C.
What is the InChIKey of 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one?
The InChIKey is WFNNPPZOXPCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)10-7-15-8-11(14)13(10)6-4-5-12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one?
4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 112546842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).