4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene

C21H19N — CID 122463978

IUPAC4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
SMILESCCN1CCc2ccc3ccc4c(c3c21)Cc1ccccc1-4
InChIInChI=1S/C21H19N/c1-2-22-12-11-15-8-7-14-9-10-18-17-6-4-3-5-16(17)13-19(18)20(14)21(15)22/h3-10H,2,11-13H2,1H3
InChIKeyZPIUXPMNAHAYNT-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.79
Rot. Bonds1

About 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene

4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene (PubChem CID 122463978) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene.

Molecular Properties

Compound Name4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
PubChem CID122463978
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene
SMILESCCN1CCc2ccc3ccc4c(c3c21)Cc1ccccc1-4
InChIInChI=1S/C21H19N/c1-2-22-12-11-15-8-7-14-9-10-18-17-6-4-3-5-16(17)13-19(18)20(14)21(15)22/h3-10H,2,11-13H2,1H3
InChIKeyZPIUXPMNAHAYNT-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene with MolForge

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Related Compounds

6-ethyl-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),8,11,15,17,19-octaene
CID 122463957
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123937708
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
6-methyl-5-propan-2-ylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 158481234
19,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 154254757
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785
1,2-diethyl-9H-fluorene
CID 23440471
1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole
CID 170039311

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
The IUPAC name of 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene (CID 122463978) is 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene.
What is the SMILES notation for 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
The canonical SMILES for 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene is CCN1CCc2ccc3ccc4c(c3c21)Cc1ccccc1-4.
What is the InChIKey of 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
The InChIKey is ZPIUXPMNAHAYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-22-12-11-15-8-7-14-9-10-18-17-6-4-3-5-16(17)13-19(18)20(14)21(15)22/h3-10H,2,11-13H2,1H3.
What are the key properties of 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene?
4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene has a molecular weight of 285.39 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-azapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene is sourced from PubChem (CID 122463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).