4-pentadecylmorpholine

C19H39NO — CID 15561282

IUPAC4-pentadecylmorpholine
SMILESCCCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C19H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21-19-17-20/h2-19H2,1H3
InChIKeyDUZAKNQLURIOIR-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.41
Rot. Bonds14

About 4-pentadecylmorpholine

4-pentadecylmorpholine (PubChem CID 15561282) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-pentadecylmorpholine.

Molecular Properties

Compound Name4-pentadecylmorpholine
PubChem CID15561282
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-pentadecylmorpholine
SMILESCCCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C19H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21-19-17-20/h2-19H2,1H3
InChIKeyDUZAKNQLURIOIR-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentadecylmorpholine?
The IUPAC name of 4-pentadecylmorpholine (CID 15561282) is 4-pentadecylmorpholine.
What is the SMILES notation for 4-pentadecylmorpholine?
The canonical SMILES for 4-pentadecylmorpholine is CCCCCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 4-pentadecylmorpholine?
The InChIKey is DUZAKNQLURIOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21-19-17-20/h2-19H2,1H3.
What are the key properties of 4-pentadecylmorpholine?
4-pentadecylmorpholine has a molecular weight of 297.53 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentadecylmorpholine is sourced from PubChem (CID 15561282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).