4-(3,3-dimethoxypropyl)morpholine

C9H19NO3 — CID 19365849

IUPAC4-(3,3-dimethoxypropyl)morpholine
SMILESCOC(CCN1CCOCC1)OC
InChIInChI=1S/C9H19NO3/c1-11-9(12-2)3-4-10-5-7-13-8-6-10/h9H,3-8H2,1-2H3
InChIKeyFKRQHUCDWCZSBF-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.33
Rot. Bonds5

About 4-(3,3-dimethoxypropyl)morpholine

4-(3,3-dimethoxypropyl)morpholine (PubChem CID 19365849) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(3,3-dimethoxypropyl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethoxypropyl)morpholine
PubChem CID19365849
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-(3,3-dimethoxypropyl)morpholine
SMILESCOC(CCN1CCOCC1)OC
InChIInChI=1S/C9H19NO3/c1-11-9(12-2)3-4-10-5-7-13-8-6-10/h9H,3-8H2,1-2H3
InChIKeyFKRQHUCDWCZSBF-UHFFFAOYSA-N
XLogP0.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethoxypropyl)morpholine?
The IUPAC name of 4-(3,3-dimethoxypropyl)morpholine (CID 19365849) is 4-(3,3-dimethoxypropyl)morpholine.
What is the SMILES notation for 4-(3,3-dimethoxypropyl)morpholine?
The canonical SMILES for 4-(3,3-dimethoxypropyl)morpholine is COC(CCN1CCOCC1)OC.
What is the InChIKey of 4-(3,3-dimethoxypropyl)morpholine?
The InChIKey is FKRQHUCDWCZSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-11-9(12-2)3-4-10-5-7-13-8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-(3,3-dimethoxypropyl)morpholine?
4-(3,3-dimethoxypropyl)morpholine has a molecular weight of 189.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethoxypropyl)morpholine is sourced from PubChem (CID 19365849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).