4-heptylmorpholine

C11H23NO — CID 15561278

IUPAC4-heptylmorpholine
SMILESCCCCCCCN1CCOCC1
InChIInChI=1S/C11H23NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h2-11H2,1H3
InChIKeyLTGYPWPOHCCXJI-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds6

About 4-heptylmorpholine

4-heptylmorpholine (PubChem CID 15561278) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-heptylmorpholine.

Molecular Properties

Compound Name4-heptylmorpholine
PubChem CID15561278
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-heptylmorpholine
SMILESCCCCCCCN1CCOCC1
InChIInChI=1S/C11H23NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h2-11H2,1H3
InChIKeyLTGYPWPOHCCXJI-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
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-heptylmorpholine?
The IUPAC name of 4-heptylmorpholine (CID 15561278) is 4-heptylmorpholine.
What is the SMILES notation for 4-heptylmorpholine?
The canonical SMILES for 4-heptylmorpholine is CCCCCCCN1CCOCC1.
What is the InChIKey of 4-heptylmorpholine?
The InChIKey is LTGYPWPOHCCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h2-11H2,1H3.
What are the key properties of 4-heptylmorpholine?
4-heptylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptylmorpholine is sourced from PubChem (CID 15561278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).