2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene

C20H19N3 — CID 58225032

IUPAC2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene
SMILESCC1c2cccc(n2)Cc2cccc(n2)C(C)c2cccc1n2
InChIInChI=1S/C20H19N3/c1-13-17-8-3-6-15(21-17)12-16-7-4-9-18(22-16)14(2)20-11-5-10-19(13)23-20/h3-11,13-14H,12H2,1-2H3
InChIKeyNOAOTAYYKPXSCN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.08
Rot. Bonds

About 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene

2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene (PubChem CID 58225032) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene.

Molecular Properties

Compound Name2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene
PubChem CID58225032
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene
SMILESCC1c2cccc(n2)Cc2cccc(n2)C(C)c2cccc1n2
InChIInChI=1S/C20H19N3/c1-13-17-8-3-6-15(21-17)12-16-7-4-9-18(22-16)14(2)20-11-5-10-19(13)23-20/h3-11,13-14H,12H2,1-2H3
InChIKeyNOAOTAYYKPXSCN-UHFFFAOYSA-N
XLogP4.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,13,14-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3,5,7(14),9,11-hexaene
CID 134507697
15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene
CID 58836151
2-(4-fluoro-3-isocyanophenyl)-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3,5,7(21),9(20),10,12,15(19),16-nonaene
CID 58224972
6-azabicyclo[3.1.1]hepta-1(6),2,4-triene;fluoro carbonofluoridate
CID 174410413
2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
CID 18339676
(2S,3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
CID 162978524
(2R,13R)-2,13-dimethyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CID 102076737
5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
CID 134507677
6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine
CID 67191529
17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CID 102340660
10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
CID 167345618
(5S,13S)-5,13-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene
CID 102505485

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene?
The IUPAC name of 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene (CID 58225032) is 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene.
What is the SMILES notation for 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene?
The canonical SMILES for 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene is CC1c2cccc(n2)Cc2cccc(n2)C(C)c2cccc1n2.
What is the InChIKey of 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene?
The InChIKey is NOAOTAYYKPXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-17-8-3-6-15(21-17)12-16-7-4-9-18(22-16)14(2)20-11-5-10-19(13)23-20/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene?
2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene has a molecular weight of 301.39 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene is sourced from PubChem (CID 58225032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).