4-propylmorpholine;tridecan-2-one

C20H41NO2 — CID 144560338

IUPAC4-propylmorpholine;tridecan-2-one
SMILESCCCCCCCCCCCC(C)=O.CCCN1CCOCC1
InChIInChI=1S/C13H26O.C7H15NO/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;1-2-3-8-4-6-9-7-5-8/h3-12H2,1-2H3;2-7H2,1H3
InChIKeyBUZORHPALWUZIH-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.22
Rot. Bonds12

About 4-propylmorpholine;tridecan-2-one

4-propylmorpholine;tridecan-2-one (PubChem CID 144560338) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 4-propylmorpholine;tridecan-2-one.

Molecular Properties

Compound Name4-propylmorpholine;tridecan-2-one
PubChem CID144560338
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name4-propylmorpholine;tridecan-2-one
SMILESCCCCCCCCCCCC(C)=O.CCCN1CCOCC1
InChIInChI=1S/C13H26O.C7H15NO/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;1-2-3-8-4-6-9-7-5-8/h3-12H2,1-2H3;2-7H2,1H3
InChIKeyBUZORHPALWUZIH-UHFFFAOYSA-N
XLogP5.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
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-propylmorpholine;tridecan-2-one?
The IUPAC name of 4-propylmorpholine;tridecan-2-one (CID 144560338) is 4-propylmorpholine;tridecan-2-one.
What is the SMILES notation for 4-propylmorpholine;tridecan-2-one?
The canonical SMILES for 4-propylmorpholine;tridecan-2-one is CCCCCCCCCCCC(C)=O.CCCN1CCOCC1.
What is the InChIKey of 4-propylmorpholine;tridecan-2-one?
The InChIKey is BUZORHPALWUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C7H15NO/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;1-2-3-8-4-6-9-7-5-8/h3-12H2,1-2H3;2-7H2,1H3.
What are the key properties of 4-propylmorpholine;tridecan-2-one?
4-propylmorpholine;tridecan-2-one has a molecular weight of 327.55 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylmorpholine;tridecan-2-one is sourced from PubChem (CID 144560338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).