4-heptan-2-ylmorpholine

C11H23NO — CID 11745328

IUPAC4-heptan-2-ylmorpholine
SMILESCCCCCC(C)N1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyNKXCMWIVSOTHOV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds5

About 4-heptan-2-ylmorpholine

4-heptan-2-ylmorpholine (PubChem CID 11745328) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-heptan-2-ylmorpholine.

Molecular Properties

Compound Name4-heptan-2-ylmorpholine
PubChem CID11745328
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-heptan-2-ylmorpholine
SMILESCCCCCC(C)N1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyNKXCMWIVSOTHOV-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-heptan-2-ylmorpholine?
The IUPAC name of 4-heptan-2-ylmorpholine (CID 11745328) is 4-heptan-2-ylmorpholine.
What is the SMILES notation for 4-heptan-2-ylmorpholine?
The canonical SMILES for 4-heptan-2-ylmorpholine is CCCCCC(C)N1CCOCC1.
What is the InChIKey of 4-heptan-2-ylmorpholine?
The InChIKey is NKXCMWIVSOTHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-heptan-2-ylmorpholine?
4-heptan-2-ylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-2-ylmorpholine is sourced from PubChem (CID 11745328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).