18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene

C21H25N — CID 57196680

IUPAC18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
SMILESCCC1CCC2=c3ccccc3=NCC3=CC=CCC32CC1
InChIInChI=1S/C21H25N/c1-2-16-10-11-19-18-8-3-4-9-20(18)22-15-17-7-5-6-13-21(17,19)14-12-16/h3-9,16H,2,10-15H2,1H3
InChIKeyINHPCQGHHLIICQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds1

About 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene

18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene (PubChem CID 57196680) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene.

Molecular Properties

Compound Name18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
PubChem CID57196680
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
SMILESCCC1CCC2=c3ccccc3=NCC3=CC=CCC32CC1
InChIInChI=1S/C21H25N/c1-2-16-10-11-19-18-8-3-4-9-20(18)22-15-17-7-5-6-13-21(17,19)14-12-16/h3-9,16H,2,10-15H2,1H3
InChIKeyINHPCQGHHLIICQ-UHFFFAOYSA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene with MolForge

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Related Compounds

18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460
18-(Cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57132051
8-Azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57316047
6-(6-Butyliminocyclohexen-1-yl)-2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-amine
CID 67174652
2-Methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
CID 70364652
(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene
CID 90700421
1-Methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
CID 91269631
9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
CID 91340343
(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
CID 91475179
N-[[4-(3,6-dimethylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]methyl]-5,6,6-triethyl-3,7-dimethyloctan-2-imine
CID 123401859
(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene
CID 123501414
10-(2,5,5-Trimethylhexan-3-yl)-4a,8,9,10b-tetrahydrocyclohepta[b]indole
CID 123542412

Frequently Asked Questions

What is the IUPAC name of 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The IUPAC name of 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene (CID 57196680) is 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene.
What is the SMILES notation for 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The canonical SMILES for 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene is CCC1CCC2=c3ccccc3=NCC3=CC=CCC32CC1.
What is the InChIKey of 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The InChIKey is INHPCQGHHLIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-2-16-10-11-19-18-8-3-4-9-20(18)22-15-17-7-5-6-13-21(17,19)14-12-16/h3-9,16H,2,10-15H2,1H3.
What are the key properties of 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene has a molecular weight of 291.44 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene is sourced from PubChem (CID 57196680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).