19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane

C22H23N — CID 145085094

IUPAC19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane
SMILESCC.CC1(C)c2ccccc2-c2ccc3c4c([nH]c3c21)C=CC4
InChIInChI=1S/C20H17N.C2H6/c1-20(2)16-8-4-3-6-12(16)14-10-11-15-13-7-5-9-17(13)21-19(15)18(14)20;1-2/h3-6,8-11,21H,7H2,1-2H3;1-2H3
InChIKeySUWKHNGRLXYXLO-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.07
Rot. Bonds

About 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane

19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane (PubChem CID 145085094) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane.

Molecular Properties

Compound Name19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane
PubChem CID145085094
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane
SMILESCC.CC1(C)c2ccccc2-c2ccc3c4c([nH]c3c21)C=CC4
InChIInChI=1S/C20H17N.C2H6/c1-20(2)16-8-4-3-6-12(16)14-10-11-15-13-7-5-9-17(13)21-19(15)18(14)20;1-2/h3-6,8-11,21H,7H2,1-2H3;1-2H3
InChIKeySUWKHNGRLXYXLO-UHFFFAOYSA-N
XLogP6.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane 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

11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
19,19-dimethyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126738032
12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole
CID 145377277
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
CID 140759693
CID 140759693
ethane;ethene;3,11,11-trimethylindeno[2,1-a]phenanthrene
CID 144670692
4-chloro-1,8-bis(9,9-dimethylfluoren-1-yl)pyrene
CID 162349670
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097

Frequently Asked Questions

What is the IUPAC name of 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane?
The IUPAC name of 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane (CID 145085094) is 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane.
What is the SMILES notation for 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane?
The canonical SMILES for 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane is CC.CC1(C)c2ccccc2-c2ccc3c4c([nH]c3c21)C=CC4.
What is the InChIKey of 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane?
The InChIKey is SUWKHNGRLXYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N.C2H6/c1-20(2)16-8-4-3-6-12(16)14-10-11-15-13-7-5-9-17(13)21-19(15)18(14)20;1-2/h3-6,8-11,21H,7H2,1-2H3;1-2H3.
What are the key properties of 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane?
19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane has a molecular weight of 301.43 g/mol, XLogP of 6.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane is sourced from PubChem (CID 145085094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).