4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine

C16H28N2O — CID 143063439

IUPAC4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine
SMILESC1=CC=C(CCN2CCOCC2)CC=C1.CCNC
InChIInChI=1S/C13H19NO.C3H9N/c1-2-4-6-13(5-3-1)7-8-14-9-11-15-12-10-14;1-3-4-2/h1-5H,6-12H2;4H,3H2,1-2H3
InChIKeyXTBLOSBYEMRDEU-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.38
Rot. Bonds4

About 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine

4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine (PubChem CID 143063439) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine.

Molecular Properties

Compound Name4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine
PubChem CID143063439
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine
SMILESC1=CC=C(CCN2CCOCC2)CC=C1.CCNC
InChIInChI=1S/C13H19NO.C3H9N/c1-2-4-6-13(5-3-1)7-8-14-9-11-15-12-10-14;1-3-4-2/h1-5H,6-12H2;4H,3H2,1-2H3
InChIKeyXTBLOSBYEMRDEU-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine 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-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine?
The IUPAC name of 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine (CID 143063439) is 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine.
What is the SMILES notation for 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine?
The canonical SMILES for 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine is C1=CC=C(CCN2CCOCC2)CC=C1.CCNC.
What is the InChIKey of 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine?
The InChIKey is XTBLOSBYEMRDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C3H9N/c1-2-4-6-13(5-3-1)7-8-14-9-11-15-12-10-14;1-3-4-2/h1-5H,6-12H2;4H,3H2,1-2H3.
What are the key properties of 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine?
4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine has a molecular weight of 264.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine is sourced from PubChem (CID 143063439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).