4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine

C22H25NO — CID 13069076

IUPAC4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine
SMILESc1ccc2c(c1)C1CC2(CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H25NO/c1-3-8-20-17(6-1)19-16-22(20,21-9-4-2-7-18(19)21)10-5-11-23-12-14-24-15-13-23/h1-4,6-9,19H,5,10-16H2
InChIKeyXESRGWMRJRMUKW-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.93
Rot. Bonds4

About 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine

4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine (PubChem CID 13069076) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine
PubChem CID13069076
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine
SMILESc1ccc2c(c1)C1CC2(CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H25NO/c1-3-8-20-17(6-1)19-16-22(20,21-9-4-2-7-18(19)21)10-5-11-23-12-14-24-15-13-23/h1-4,6-9,19H,5,10-16H2
InChIKeyXESRGWMRJRMUKW-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine with MolForge

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Related Compounds

4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948233
4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950873
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876
4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332422
1'-(1,2,3,4-Tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 127034023
4-[2-[(3E)-3-[(3-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72948235
4-(15-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
CID 76335594
4-[1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
CID 19380978
4-(9H-fluoren-2-ylmethyl)morpholine
CID 418224

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine?
The IUPAC name of 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine (CID 13069076) is 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine is c1ccc2c(c1)C1CC2(CCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine?
The InChIKey is XESRGWMRJRMUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-8-20-17(6-1)19-16-22(20,21-9-4-2-7-18(19)21)10-5-11-23-12-14-24-15-13-23/h1-4,6-9,19H,5,10-16H2.
What are the key properties of 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine?
4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine has a molecular weight of 319.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]morpholine is sourced from PubChem (CID 13069076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).