4-(6-methylhepta-2,4,6-trien-3-yl)morpholine

C12H19NO — CID 123812075

IUPAC4-(6-methylhepta-2,4,6-trien-3-yl)morpholine
SMILESC=C(C)C=CC(=CC)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,2,7-10H2,1,3H3
InChIKeyHKIVOPJZIIEPMD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds3

About 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine

4-(6-methylhepta-2,4,6-trien-3-yl)morpholine (PubChem CID 123812075) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine.

Molecular Properties

Compound Name4-(6-methylhepta-2,4,6-trien-3-yl)morpholine
PubChem CID123812075
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(6-methylhepta-2,4,6-trien-3-yl)morpholine
SMILESC=C(C)C=CC(=CC)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,2,7-10H2,1,3H3
InChIKeyHKIVOPJZIIEPMD-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(6-methylhepta-2,4,6-trien-3-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-(6-methylhepta-2,4,6-trien-3-yl)morpholine?
The IUPAC name of 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine (CID 123812075) is 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine.
What is the SMILES notation for 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine?
The canonical SMILES for 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine is C=C(C)C=CC(=CC)N1CCOCC1.
What is the InChIKey of 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine?
The InChIKey is HKIVOPJZIIEPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,2,7-10H2,1,3H3.
What are the key properties of 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine?
4-(6-methylhepta-2,4,6-trien-3-yl)morpholine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylhepta-2,4,6-trien-3-yl)morpholine is sourced from PubChem (CID 123812075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).