11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C14H19N — CID 59079694

IUPAC11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCCN1CC2Cc3ccccc3C(C2)C1
InChIInChI=1S/C14H19N/c1-2-15-9-11-7-12-5-3-4-6-14(12)13(8-11)10-15/h3-6,11,13H,2,7-10H2,1H3
InChIKeyAEYXWGCEFGWIGY-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.67
Rot. Bonds1

About 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 59079694) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID59079694
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCCN1CC2Cc3ccccc3C(C2)C1
InChIInChI=1S/C14H19N/c1-2-15-9-11-7-12-5-3-4-6-14(12)13(8-11)10-15/h3-6,11,13H,2,7-10H2,1H3
InChIKeyAEYXWGCEFGWIGY-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
CID 70637123
(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 135034885
2,4-diethyl-3,4-dihydro-1H-isoquinoline
CID 56971515
11-(2-methylbut-3-en-2-yl)-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
CID 70637124
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
CID 70451157
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one
CID 116621220
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66418763
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
5,8-diethyl-6,6a,7,12b-tetrahydroquinolino[3,4-c]quinoline
CID 3714265
N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 23009485

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 59079694) is 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is CCN1CC2Cc3ccccc3C(C2)C1.
What is the InChIKey of 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is AEYXWGCEFGWIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-15-9-11-7-12-5-3-4-6-14(12)13(8-11)10-15/h3-6,11,13H,2,7-10H2,1H3.
What are the key properties of 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 201.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 59079694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).