3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene

C14H17N — CID 91445412

IUPAC3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
SMILESC1=CCC2CCCC3=CCC=NC3C2=C1
InChIInChI=1S/C14H17N/c1-2-9-13-11(5-1)6-3-7-12-8-4-10-15-14(12)13/h1-2,8-11,14H,3-7H2
InChIKeyOSJIZLQNWUFLKW-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.44
Rot. Bonds

About 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene

3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene (PubChem CID 91445412) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene.

Molecular Properties

Compound Name3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
PubChem CID91445412
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
SMILESC1=CCC2CCCC3=CCC=NC3C2=C1
InChIInChI=1S/C14H17N/c1-2-9-13-11(5-1)6-3-7-12-8-4-10-15-14(12)13/h1-2,8-11,14H,3-7H2
InChIKeyOSJIZLQNWUFLKW-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
2-Cycloheptyl-2,5-dihydropyridine
CID 54266406
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566

Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene?
The IUPAC name of 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene (CID 91445412) is 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene.
What is the SMILES notation for 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene?
The canonical SMILES for 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene is C1=CCC2CCCC3=CCC=NC3C2=C1.
What is the InChIKey of 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene?
The InChIKey is OSJIZLQNWUFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-9-13-11(5-1)6-3-7-12-8-4-10-15-14(12)13/h1-2,8-11,14H,3-7H2.
What are the key properties of 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene?
3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene has a molecular weight of 199.30 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene is sourced from PubChem (CID 91445412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).