(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene

C17H24N2 — CID 10149473

IUPAC(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
SMILESc1cc2c3c(c1)C1CCCCC[C@H]1CN3CCNC2
InChIInChI=1S/C17H24N2/c1-2-5-14-12-19-10-9-18-11-13-6-4-8-16(17(13)19)15(14)7-3-1/h4,6,8,14-15,18H,1-3,5,7,9-12H2/t14-,15?/m0/s1
InChIKeyBHAKYGPGPDLCEI-MLCCFXAWSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds

About (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene

(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene (PubChem CID 10149473) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene.

Molecular Properties

Compound Name(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
PubChem CID10149473
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
SMILESc1cc2c3c(c1)C1CCCCC[C@H]1CN3CCNC2
InChIInChI=1S/C17H24N2/c1-2-5-14-12-19-10-9-18-11-13-6-4-8-16(17(13)19)15(14)7-3-1/h4,6,8,14-15,18H,1-3,5,7,9-12H2/t14-,15?/m0/s1
InChIKeyBHAKYGPGPDLCEI-MLCCFXAWSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene with MolForge

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Related Compounds

(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 16736934
(12S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 132502238
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;ethane
CID 90724531
4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364424
3-phenyl-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;hydrochloride
CID 10308809
3-bromo-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 10286373
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-8-ol
CID 58645364
(2R,7R)-5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene;dihydrochloride
CID 172765644
(4S)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364458
[(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-13-yl] hydrogen sulfate
CID 58645367
(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 10083108
(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 21036483

Frequently Asked Questions

What is the IUPAC name of (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
The IUPAC name of (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene (CID 10149473) is (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene.
What is the SMILES notation for (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
The canonical SMILES for (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene is c1cc2c3c(c1)C1CCCCC[C@H]1CN3CCNC2.
What is the InChIKey of (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
The InChIKey is BHAKYGPGPDLCEI-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-5-14-12-19-10-9-18-11-13-6-4-8-16(17(13)19)15(14)7-3-1/h4,6,8,14-15,18H,1-3,5,7,9-12H2/t14-,15?/m0/s1.
What are the key properties of (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene has a molecular weight of 256.39 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene is sourced from PubChem (CID 10149473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).