20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene

C21H15N — CID 90278208

IUPAC20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n4c3c-4c21
InChIInChI=1S/C21H15N/c1-21(2)16-9-5-3-7-12(16)14-11-15-13-8-4-6-10-17(13)22-19(15)20(22)18(14)21/h3-11H,1-2H3
InChIKeyVYOPHXHWXZXVJR-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.40
Rot. Bonds

About 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene

20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene (PubChem CID 90278208) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene.

Molecular Properties

Compound Name20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
PubChem CID90278208
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n4c3c-4c21
InChIInChI=1S/C21H15N/c1-21(2)16-9-5-3-7-12(16)14-11-15-13-8-4-6-10-17(13)22-19(15)20(22)18(14)21/h3-11H,1-2H3
InChIKeyVYOPHXHWXZXVJR-UHFFFAOYSA-N
XLogP5.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene?
The IUPAC name of 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene (CID 90278208) is 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene.
What is the SMILES notation for 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene?
The canonical SMILES for 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene is CC1(C)c2ccccc2-c2cc3c4ccccc4n4c3c-4c21.
What is the InChIKey of 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene?
The InChIKey is VYOPHXHWXZXVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N/c1-21(2)16-9-5-3-7-12(16)14-11-15-13-8-4-6-10-17(13)22-19(15)20(22)18(14)21/h3-11H,1-2H3.
What are the key properties of 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene?
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene has a molecular weight of 281.36 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene is sourced from PubChem (CID 90278208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).