8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene

C14H15N — CID 15231978

IUPAC8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene
SMILESC1=CC2c3cccc4c3N(CC4)CC2C1
InChIInChI=1S/C14H15N/c1-3-10-7-8-15-9-11-4-2-5-12(11)13(6-1)14(10)15/h1-3,5-6,11-12H,4,7-9H2
InChIKeyGBONYWSZXIMTPT-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.72
Rot. Bonds

About 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene

8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene (PubChem CID 15231978) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene.

Molecular Properties

Compound Name8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene
PubChem CID15231978
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene
SMILESC1=CC2c3cccc4c3N(CC4)CC2C1
InChIInChI=1S/C14H15N/c1-3-10-7-8-15-9-11-4-2-5-12(11)13(6-1)14(10)15/h1-3,5-6,11-12H,4,7-9H2
InChIKeyGBONYWSZXIMTPT-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3a,4,5,9b-tetrahydro-3H-cyclopenta[a]naphthalene
CID 173290143
(3S,7R,13S,17R)-9-chloro-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene
CID 126340659
10-iodo-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene
CID 3299296
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
9-nitro-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene
CID 3616956
10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 162018965
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
CID 82372261
(3S,7S,13S,17R)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylate
CID 11897338
(2R,7R)-5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene;dihydrochloride
CID 172765644
(2R,3S,7S,13S,17S)-10-bromo-2-(2-fluorophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene
CID 11875371
(12S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 132502238
(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 10149473

Frequently Asked Questions

What is the IUPAC name of 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene?
The IUPAC name of 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene (CID 15231978) is 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene.
What is the SMILES notation for 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene?
The canonical SMILES for 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene is C1=CC2c3cccc4c3N(CC4)CC2C1.
What is the InChIKey of 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene?
The InChIKey is GBONYWSZXIMTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-3-10-7-8-15-9-11-4-2-5-12(11)13(6-1)14(10)15/h1-3,5-6,11-12H,4,7-9H2.
What are the key properties of 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene?
8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene has a molecular weight of 197.28 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene is sourced from PubChem (CID 15231978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).