4-(4-methyloct-3-en-2-yl)morpholine

C13H25NO — CID 54235578

IUPAC4-(4-methyloct-3-en-2-yl)morpholine
SMILESCCCCC(C)=CC(C)N1CCOCC1
InChIInChI=1S/C13H25NO/c1-4-5-6-12(2)11-13(3)14-7-9-15-10-8-14/h11,13H,4-10H2,1-3H3
InChIKeyQMIJBRZXMJVFFQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.84
Rot. Bonds5

About 4-(4-methyloct-3-en-2-yl)morpholine

4-(4-methyloct-3-en-2-yl)morpholine (PubChem CID 54235578) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(4-methyloct-3-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyloct-3-en-2-yl)morpholine
PubChem CID54235578
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(4-methyloct-3-en-2-yl)morpholine
SMILESCCCCC(C)=CC(C)N1CCOCC1
InChIInChI=1S/C13H25NO/c1-4-5-6-12(2)11-13(3)14-7-9-15-10-8-14/h11,13H,4-10H2,1-3H3
InChIKeyQMIJBRZXMJVFFQ-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(4-methyloct-3-en-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyloct-3-en-2-yl)morpholine?
The IUPAC name of 4-(4-methyloct-3-en-2-yl)morpholine (CID 54235578) is 4-(4-methyloct-3-en-2-yl)morpholine.
What is the SMILES notation for 4-(4-methyloct-3-en-2-yl)morpholine?
The canonical SMILES for 4-(4-methyloct-3-en-2-yl)morpholine is CCCCC(C)=CC(C)N1CCOCC1.
What is the InChIKey of 4-(4-methyloct-3-en-2-yl)morpholine?
The InChIKey is QMIJBRZXMJVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-6-12(2)11-13(3)14-7-9-15-10-8-14/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-(4-methyloct-3-en-2-yl)morpholine?
4-(4-methyloct-3-en-2-yl)morpholine has a molecular weight of 211.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyloct-3-en-2-yl)morpholine is sourced from PubChem (CID 54235578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).