3,15-dimethyl-7,19-dipropyl-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

C30H30N2 — CID 70938449

IUPAC3,15-dimethyl-7,19-dipropyl-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
SMILESCCCc1ccc2c(c1)c1ccc3c(ccc4c5cc(CCC)ccc5n(C)c43)c1n2C
InChIInChI=1S/C30H30N2/c1-5-7-19-9-15-27-25(17-19)23-13-11-22-21(29(23)31(27)3)12-14-24-26-18-20(8-6-2)10-16-28(26)32(4)30(22)24/h9-18H,5-8H2,1-4H3
InChIKeyCXVDVKFSUPWRFI-UHFFFAOYSA-N
MW418.58 g/mol
LogP8.03
Rot. Bonds4

About 3,15-dimethyl-7,19-dipropyl-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

3,15-dimethyl-7,19-dipropyl-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 70938449) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 3,15-dimethyl-7,19-dipropyl-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 Name3,15-dimethyl-7,19-dipropyl-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 CID70938449
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name3,15-dimethyl-7,19-dipropyl-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
SMILESCCCc1ccc2c(c1)c1ccc3c(ccc4c5cc(CCC)ccc5n(C)c43)c1n2C
InChIInChI=1S/C30H30N2/c1-5-7-19-9-15-27-25(17-19)23-13-11-22-21(29(23)31(27)3)12-14-24-26-18-20(8-6-2)10-16-28(26)32(4)30(22)24/h9-18H,5-8H2,1-4H3
InChIKeyCXVDVKFSUPWRFI-UHFFFAOYSA-N
XLogP8.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,15-dimethyl-7,19-dipropyl-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 3,15-dimethyl-7,19-dipropyl-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 3,15-dimethyl-7,19-dipropyl-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 70938449) is 3,15-dimethyl-7,19-dipropyl-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 3,15-dimethyl-7,19-dipropyl-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 3,15-dimethyl-7,19-dipropyl-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 CCCc1ccc2c(c1)c1ccc3c(ccc4c5cc(CCC)ccc5n(C)c43)c1n2C.
What is the InChIKey of 3,15-dimethyl-7,19-dipropyl-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 CXVDVKFSUPWRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-5-7-19-9-15-27-25(17-19)23-13-11-22-21(29(23)31(27)3)12-14-24-26-18-20(8-6-2)10-16-28(26)32(4)30(22)24/h9-18H,5-8H2,1-4H3.
What are the key properties of 3,15-dimethyl-7,19-dipropyl-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?
3,15-dimethyl-7,19-dipropyl-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 418.58 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-dimethyl-7,19-dipropyl-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 70938449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).