6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

C28H26N2 — CID 70938443

IUPAC6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCCc1ccc2c3ccc4c(ccc5c6ccc(CC)cc6n(C)c54)c3n(C)c2c1
InChIInChI=1S/C28H26N2/c1-5-17-7-9-19-21-11-13-24-23(27(21)29(3)25(19)15-17)14-12-22-20-10-8-18(6-2)16-26(20)30(4)28(22)24/h7-16H,5-6H2,1-4H3
InChIKeyMCASAGACWIOJDL-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.25
Rot. Bonds2

About 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 70938443) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID70938443
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCCc1ccc2c3ccc4c(ccc5c6ccc(CC)cc6n(C)c54)c3n(C)c2c1
InChIInChI=1S/C28H26N2/c1-5-17-7-9-19-21-11-13-24-23(27(21)29(3)25(19)15-17)14-12-22-20-10-8-18(6-2)16-26(20)30(4)28(22)24/h7-16H,5-6H2,1-4H3
InChIKeyMCASAGACWIOJDL-UHFFFAOYSA-N
XLogP7.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (CID 70938443) is 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is CCc1ccc2c3ccc4c(ccc5c6ccc(CC)cc6n(C)c54)c3n(C)c2c1.
What is the InChIKey of 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is MCASAGACWIOJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-5-17-7-9-19-21-11-13-24-23(27(21)29(3)25(19)15-17)14-12-22-20-10-8-18(6-2)16-26(20)30(4)28(22)24/h7-16H,5-6H2,1-4H3.
What are the key properties of 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 390.53 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 70938443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).