(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene

C17H24N2 — CID 16736934

IUPAC(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
SMILESc1cc2c3c(c1)[C@H]1CCCCC[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-GJZGRUSLSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds

About (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene

(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene (PubChem CID 16736934) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene.

Molecular Properties

Compound Name(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
PubChem CID16736934
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
SMILESc1cc2c3c(c1)[C@H]1CCCCC[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-GJZGRUSLSA-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 (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9aR,12aS)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine
CID 11521822
Desmethylmianserin
CID 115194
1-(2-Diphenyl)piperazine
CID 2737389
1-(2-Isopropylphenyl)piperazine
CID 3608822
1,11-Diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene
CID 22036724
7-o-Tolyl-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720253
3-Methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055192
3,3-Dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055199
Spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]
CID 118055233
3,3-Diethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055234
3,3,12-Trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055305
(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055318

Frequently Asked Questions

What is the IUPAC name of (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
The IUPAC name of (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene (CID 16736934) is (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene.
What is the SMILES notation for (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
The canonical SMILES for (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene is c1cc2c3c(c1)[C@H]1CCCCC[C@H]1CN3CCNC2.
What is the InChIKey of (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
The InChIKey is BHAKYGPGPDLCEI-GJZGRUSLSA-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 (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene?
(2S,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 (2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene is sourced from PubChem (CID 16736934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).