6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one

C9H18N2O2 — CID 115068146

IUPAC6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one
SMILESCN1CC(C)(CCCN)OCC1=O
InChIInChI=1S/C9H18N2O2/c1-9(4-3-5-10)7-11(2)8(12)6-13-9/h3-7,10H2,1-2H3
InChIKeyWRRRZMMUGDECDS-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one

6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one (PubChem CID 115068146) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one
PubChem CID115068146
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one
SMILESCN1CC(C)(CCCN)OCC1=O
InChIInChI=1S/C9H18N2O2/c1-9(4-3-5-10)7-11(2)8(12)6-13-9/h3-7,10H2,1-2H3
InChIKeyWRRRZMMUGDECDS-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one?
The IUPAC name of 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one (CID 115068146) is 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one.
What is the SMILES notation for 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one?
The canonical SMILES for 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one is CN1CC(C)(CCCN)OCC1=O.
What is the InChIKey of 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one?
The InChIKey is WRRRZMMUGDECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(4-3-5-10)7-11(2)8(12)6-13-9/h3-7,10H2,1-2H3.
What are the key properties of 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one?
6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4,6-dimethylmorpholin-3-one is sourced from PubChem (CID 115068146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).