11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

C13H17N — CID 70374350

IUPAC11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESC1=NCC2=C3C(=C1)CCCC3CCC2
InChIInChI=1S/C13H17N/c1-3-10-4-2-6-12-9-14-8-7-11(5-1)13(10)12/h7-8,10H,1-6,9H2
InChIKeyZJRIKXLQVBKZMS-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.28
Rot. Bonds

About 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (PubChem CID 70374350) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.

Molecular Properties

Compound Name11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
PubChem CID70374350
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESC1=NCC2=C3C(=C1)CCCC3CCC2
InChIInChI=1S/C13H17N/c1-3-10-4-2-6-12-9-14-8-7-11(5-1)13(10)12/h7-8,10H,1-6,9H2
InChIKeyZJRIKXLQVBKZMS-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
2-Methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
CID 70364652
2-Cyano-1,2,3,4,8,9,10,10a-octahydronaphth[1,8-cd]azepine
CID 70374095
2-Methyl-1,2,3,4,8,9,10,10a-octahydronaphth[1,8-cd]azepine
CID 70374182
13-Chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
CID 70374311
7-Prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
CID 70374470
8-(2-Methylbutan-2-yl)-4a,8a-dihydroquinoline
CID 71069576
3-Azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
CID 91445412
4-(4-Methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
CID 123503471

Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The IUPAC name of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (CID 70374350) is 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.
What is the SMILES notation for 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The canonical SMILES for 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is C1=NCC2=C3C(=C1)CCCC3CCC2.
What is the InChIKey of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The InChIKey is ZJRIKXLQVBKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-10-4-2-6-12-9-14-8-7-11(5-1)13(10)12/h7-8,10H,1-6,9H2.
What are the key properties of 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene has a molecular weight of 187.29 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is sourced from PubChem (CID 70374350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).