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

C19H21N — CID 57316047

IUPAC8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
SMILESC1=CCC23CCCCCC2=c2ccccc2=NCC3=C1
InChIInChI=1S/C19H21N/c1-2-10-17-16-9-3-4-11-18(16)20-14-15-8-5-7-13-19(15,17)12-6-1/h3-5,7-9,11H,1-2,6,10,12-14H2
InChIKeyHFYWHBTYNKORHZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds

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

8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene (PubChem CID 57316047) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene.

Molecular Properties

Compound Name8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
PubChem CID57316047
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
SMILESC1=CCC23CCCCCC2=c2ccccc2=NCC3=C1
InChIInChI=1S/C19H21N/c1-2-10-17-16-9-3-4-11-18(16)20-14-15-8-5-7-13-19(15,17)12-6-1/h3-5,7-9,11H,1-2,6,10,12-14H2
InChIKeyHFYWHBTYNKORHZ-UHFFFAOYSA-N
XLogP3.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
19-Bromo-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14,19-heptaen-17-imine
CID 57179239
18-Ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57196680
9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
CID 91340343
3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline
CID 123743908
(4Z,5E)-6-[6-(3,4-dimethyloct-5-en-4-yl)cyclohexa-1,3-dien-1-yl]-4-ethylidene-5-(2-methylpropylidene)-2,3-dihydropyridine
CID 144490186
6-[(3E,5Z)-2-methyl-3-prop-1-en-2-ylhepta-3,5-dien-2-yl]-2,3,4,5-tetrahydropyridine
CID 145552043
3-(Cyclohexa-1,3-dien-1-ylmethyl)-5-ethyl-3-(2-methylpropyl)-2,4-dihydropyrrole
CID 170215521
(3E,5E,7E,9E)-N-butyl-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-imine
CID 102134296
6-(6-Methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
CID 143153326
6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine
CID 159351272

Frequently Asked Questions

What is the IUPAC name of 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The IUPAC name of 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene (CID 57316047) is 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene.
What is the SMILES notation for 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The canonical SMILES for 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene is C1=CCC23CCCCCC2=c2ccccc2=NCC3=C1.
What is the InChIKey of 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The InChIKey is HFYWHBTYNKORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-10-17-16-9-3-4-11-18(16)20-14-15-8-5-7-13-19(15,17)12-6-1/h3-5,7-9,11H,1-2,6,10,12-14H2.
What are the key properties of 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene has a molecular weight of 263.38 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene is sourced from PubChem (CID 57316047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).