(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

C19H18N2 — CID 101017077

IUPAC(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
SMILESCC1(C)[C@H]2Cc3cc4ccc5cccnc5c4nc3[C@@H]1C2
InChIInChI=1S/C19H18N2/c1-19(2)14-9-13-8-12-6-5-11-4-3-7-20-17(11)18(12)21-16(13)15(19)10-14/h3-8,14-15H,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyKXQGYTZHFQLASZ-GJZGRUSLSA-N
MW274.37 g/mol
LogP4.47
Rot. Bonds

About (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

(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 (PubChem CID 101017077) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101017077
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name(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
SMILESCC1(C)[C@H]2Cc3cc4ccc5cccnc5c4nc3[C@@H]1C2
InChIInChI=1S/C19H18N2/c1-19(2)14-9-13-8-12-6-5-11-4-3-7-20-17(11)18(12)21-16(13)15(19)10-14/h3-8,14-15H,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyKXQGYTZHFQLASZ-GJZGRUSLSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (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 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

(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
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-1,10-phenanthroline
CID 101223235
(1S,17S,18R,21S,26S,27S)-1,26-dimethyl-3,6-diazaheptacyclo[15.12.0.02,15.04,13.05,10.018,27.021,26]nonacosa-2(15),3,5(10),6,8,11,13,23-octaene
CID 10597603
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
(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
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)[C@H]2Cc3cc4ccc5cccnc5c4nc3[C@@H]1C2.
What is the InChIKey of (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?
The InChIKey is KXQGYTZHFQLASZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H18N2/c1-19(2)14-9-13-8-12-6-5-11-4-3-7-20-17(11)18(12)21-16(13)15(19)10-14/h3-8,14-15H,9-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 274.37 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101017077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).