7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C14H19N — CID 70876138

IUPAC7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCCc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C14H19N/c1-2-11-9-12-5-3-7-15-8-4-6-13(10-11)14(12)15/h9-10H,2-8H2,1H3
InChIKeyQGWYYKWMFMNQQH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds1

About 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 70876138) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID70876138
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCCc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C14H19N/c1-2-11-9-12-5-3-7-15-8-4-6-13(10-11)14(12)15/h9-10H,2-8H2,1H3
InChIKeyQGWYYKWMFMNQQH-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanenitrile
CID 116993482
1-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propan-2-one
CID 116993442
7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
CID 21161176
7-[(E)-prop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 70142085
acetic acid;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ol
CID 21117308
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethyl(triphenyl)phosphanium
CID 23420621
[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol
CID 116993256
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylic acid
CID 116993414
(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine
CID 21029087
2-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2-methylpropanenitrile
CID 116993440
7-propa-1,2-dienyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 58545386
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-[4-(hydroxymethyl)phenyl]methanone
CID 10063823

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 70876138) is 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is CCc1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is QGWYYKWMFMNQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-11-9-12-5-3-7-15-8-4-6-13(10-11)14(12)15/h9-10H,2-8H2,1H3.
What are the key properties of 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 201.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 70876138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).