(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene

C20H20N2 — CID 10565312

IUPAC(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1nc3c(ccc4cccnc43)cc12
InChIInChI=1S/C20H20N2/c1-19(2)15-8-9-20(19,3)18-14(15)11-13-7-6-12-5-4-10-21-16(12)17(13)22-18/h4-7,10-11,15H,8-9H2,1-3H3/t15-,20+/m1/s1
InChIKeyKOPDKNBRPKXUCY-QRWLVFNGSA-N
MW288.39 g/mol
LogP4.96
Rot. Bonds

About (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene

(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene (PubChem CID 10565312) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene.

Molecular Properties

Compound Name(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene
PubChem CID10565312
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1nc3c(ccc4cccnc43)cc12
InChIInChI=1S/C20H20N2/c1-19(2)15-8-9-20(19,3)18-14(15)11-13-7-6-12-5-4-10-21-16(12)17(13)22-18/h4-7,10-11,15H,8-9H2,1-3H3/t15-,20+/m1/s1
InChIKeyKOPDKNBRPKXUCY-QRWLVFNGSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene 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

2-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]-1,10-phenanthroline
CID 102174000
(1R,17R)-18,18-dimethyl-3,6-diazapentacyclo[15.1.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene
CID 101017077
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
(1S,16R,17S)-16-butyl-18,18-dimethyl-11,14-diazapentacyclo[15.1.1.02,15.04,13.07,12]nonadeca-2(15),3,5,7(12),8,10,13-heptaene
CID 11002044
N-[4-[7-[4-(dipyridin-2-ylamino)phenyl]-11,14,14-trimethyl-6-thia-3,9-diazatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4,7,9-tetraen-5-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59793435
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751

Frequently Asked Questions

What is the IUPAC name of (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene?
The IUPAC name of (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene (CID 10565312) is (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene.
What is the SMILES notation for (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene?
The canonical SMILES for (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene is CC1(C)[C@@H]2CC[C@@]1(C)c1nc3c(ccc4cccnc43)cc12.
What is the InChIKey of (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene?
The InChIKey is KOPDKNBRPKXUCY-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H20N2/c1-19(2)15-8-9-20(19,3)18-14(15)11-13-7-6-12-5-4-10-21-16(12)17(13)22-18/h4-7,10-11,15H,8-9H2,1-3H3/t15-,20+/m1/s1.
What are the key properties of (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene?
(1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene has a molecular weight of 288.39 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,16S)-1,19,19-trimethyl-3,6-diazapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene is sourced from PubChem (CID 10565312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).