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

C20H21NO — CID 13069100

IUPAC4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
SMILESc1ccc2c(c1)C1CC2(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H21NO/c1-3-7-18-15(5-1)17-13-20(18,14-21-9-11-22-12-10-21)19-8-4-2-6-16(17)19/h1-8,17H,9-14H2
InChIKeyAMUXWPADJWGRLY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds2

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

4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine (PubChem CID 13069100) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine.

Molecular Properties

Compound Name4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
PubChem CID13069100
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
SMILESc1ccc2c(c1)C1CC2(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H21NO/c1-3-7-18-15(5-1)17-13-20(18,14-21-9-11-22-12-10-21)19-8-4-2-6-16(17)19/h1-8,17H,9-14H2
InChIKeyAMUXWPADJWGRLY-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
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
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
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)propan-1-amine
CID 44295990
3-morpholin-4-yl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)propan-1-amine
CID 44296098
1-Methyl-4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine
CID 44296099
Morpholine, 4-(2-(2-benzylinden-3-yl)ethyl)-, hydrochloride
CID 204479

Frequently Asked Questions

What is the IUPAC name of 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
The IUPAC name of 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine (CID 13069100) is 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine.
What is the SMILES notation for 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
The canonical SMILES for 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine is c1ccc2c(c1)C1CC2(CN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
The InChIKey is AMUXWPADJWGRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-3-7-18-15(5-1)17-13-20(18,14-21-9-11-22-12-10-21)19-8-4-2-6-16(17)19/h1-8,17H,9-14H2.
What are the key properties of 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine has a molecular weight of 291.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine is sourced from PubChem (CID 13069100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).