4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene

C20H24N2 — CID 23340368

IUPAC4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene
SMILESCc1ccc2c(c1)N1CCCN(C)CC1c1ccccc1C2
InChIInChI=1S/C20H24N2/c1-15-8-9-17-13-16-6-3-4-7-18(16)20-14-21(2)10-5-11-22(20)19(17)12-15/h3-4,6-9,12,20H,5,10-11,13-14H2,1-2H3
InChIKeyMMUMFZGZAZLKGS-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.78
Rot. Bonds

About 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene

4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene (PubChem CID 23340368) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene.

Molecular Properties

Compound Name4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene
PubChem CID23340368
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene
SMILESCc1ccc2c(c1)N1CCCN(C)CC1c1ccccc1C2
InChIInChI=1S/C20H24N2/c1-15-8-9-17-13-16-6-3-4-7-18(16)20-14-21(2)10-5-11-22(20)19(17)12-15/h3-4,6-9,12,20H,5,10-11,13-14H2,1-2H3
InChIKeyMMUMFZGZAZLKGS-UHFFFAOYSA-N
XLogP3.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene with MolForge

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Related Compounds

5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol
CID 20536376
5-(tritritiomethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 10445853
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 15506421
(7R)-5-(2-chloroethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 57197565
(2R,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736419
5,10-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59881663
2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
CID 21420493
2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate
CID 67850620
(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 57298321
methanesulfonic acid;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 11639107
N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
CID 70636802
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
CID 70637797

Frequently Asked Questions

What is the IUPAC name of 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene?
The IUPAC name of 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene (CID 23340368) is 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene.
What is the SMILES notation for 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene?
The canonical SMILES for 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene is Cc1ccc2c(c1)N1CCCN(C)CC1c1ccccc1C2.
What is the InChIKey of 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene?
The InChIKey is MMUMFZGZAZLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-15-8-9-17-13-16-6-3-4-7-18(16)20-14-21(2)10-5-11-22(20)19(17)12-15/h3-4,6-9,12,20H,5,10-11,13-14H2,1-2H3.
What are the key properties of 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene?
4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene has a molecular weight of 292.43 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,17-dimethyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2(7),3,5,9,11,13-hexaene is sourced from PubChem (CID 23340368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).