2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione

C21H27NO2 — CID 73040594

IUPAC2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
SMILESCC1CN2CC3CCC4=C5C(CCC56C(=O)C1CC2C36C)CC4=O
InChIInChI=1S/C21H27NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h11-13,15,17H,3-10H2,1-2H3
InChIKeyCKZNTNLXBLCQDF-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.99
Rot. Bonds

About 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione

2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione (PubChem CID 73040594) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione.

Molecular Properties

Compound Name2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
PubChem CID73040594
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
SMILESCC1CN2CC3CCC4=C5C(CCC56C(=O)C1CC2C36C)CC4=O
InChIInChI=1S/C21H27NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h11-13,15,17H,3-10H2,1-2H3
InChIKeyCKZNTNLXBLCQDF-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione?
The IUPAC name of 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione (CID 73040594) is 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione.
What is the SMILES notation for 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione?
The canonical SMILES for 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione is CC1CN2CC3CCC4=C5C(CCC56C(=O)C1CC2C36C)CC4=O.
What is the InChIKey of 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione?
The InChIKey is CKZNTNLXBLCQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione?
2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione has a molecular weight of 325.45 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione is sourced from PubChem (CID 73040594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).