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

C21H23NO — CID 21415001

IUPAC4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
SMILESCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1
InChIInChI=1S/C21H23NO/c1-22-10-11-23-15(14-22)12-21-13-18(16-6-2-4-8-19(16)21)17-7-3-5-9-20(17)21/h2-9,15,18H,10-14H2,1H3
InChIKeyVFFXSIUGTXVZEF-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.54
Rot. Bonds2

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

4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine (PubChem CID 21415001) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine.

Molecular Properties

Compound Name4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
PubChem CID21415001
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
SMILESCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1
InChIInChI=1S/C21H23NO/c1-22-10-11-23-15(14-22)12-21-13-18(16-6-2-4-8-19(16)21)17-7-3-5-9-20(17)21/h2-9,15,18H,10-14H2,1H3
InChIKeyVFFXSIUGTXVZEF-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)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-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
The IUPAC name of 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine (CID 21415001) is 4-methyl-2-(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-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
The canonical SMILES for 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine is CN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.
What is the InChIKey of 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
The InChIKey is VFFXSIUGTXVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-10-11-23-15(14-22)12-21-13-18(16-6-2-4-8-19(16)21)17-7-3-5-9-20(17)21/h2-9,15,18H,10-14H2,1H3.
What are the key properties of 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine?
4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine has a molecular weight of 305.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine is sourced from PubChem (CID 21415001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).