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

C29H38N4 — CID 162018965

IUPAC10,14-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
SMILESc1cc2c3c(c1)C1CNCC1CN3CCC2.c1cc2c3c(c1)C1CNCC1CN3CCCC2
InChIInChI=1S/C15H20N2.C14H18N2/c1-2-7-17-10-12-8-16-9-14(12)13-6-3-5-11(4-1)15(13)17;1-3-10-4-2-6-16-9-11-7-15-8-13(11)12(5-1)14(10)16/h3,5-6,12,14,16H,1-2,4,7-10H2;1,3,5,11,13,15H,2,4,6-9H2
InChIKeyYUMNRNBQEVACDK-UHFFFAOYSA-N
MW442.65 g/mol
LogP3.90
Rot. Bonds

About 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

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 (PubChem CID 162018965) has the molecular formula C29H38N4 and a molecular weight of 442.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,14-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
PubChem CID162018965
Molecular FormulaC29H38N4
Molecular Weight442.65 g/mol
Exact Mass442.31
IUPAC Name10,14-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
SMILESc1cc2c3c(c1)C1CNCC1CN3CCC2.c1cc2c3c(c1)C1CNCC1CN3CCCC2
InChIInChI=1S/C15H20N2.C14H18N2/c1-2-7-17-10-12-8-16-9-14(12)13-6-3-5-11(4-1)15(13)17;1-3-10-4-2-6-16-9-11-7-15-8-13(11)12(5-1)14(10)16/h3,5-6,12,14,16H,1-2,4,7-10H2;1,3,5,11,13,15H,2,4,6-9H2
InChIKeyYUMNRNBQEVACDK-UHFFFAOYSA-N
XLogP3.90
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

(2R,7R)-5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene;dihydrochloride
CID 172765644
(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 23518399
(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 20576995
(10R,14S)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one;hydrochloride
CID 131724527
7-(4-methoxy-2-methylphenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 23498553
(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene
CID 86593178
(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
(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 16736934
(10R,14R)-N-(3,4-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-7-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159166121
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;ethane
CID 90724531
(2S,6S)-N-benzyl-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),11(15),12-trien-13-amine
CID 68523002

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc2c3c(c1)C1CNCC1CN3CCC2.c1cc2c3c(c1)C1CNCC1CN3CCCC2.
What is the InChIKey of 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?
The InChIKey is YUMNRNBQEVACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C14H18N2/c1-2-7-17-10-12-8-16-9-14(12)13-6-3-5-11(4-1)15(13)17;1-3-10-4-2-6-16-9-11-7-15-8-13(11)12(5-1)14(10)16/h3,5-6,12,14,16H,1-2,4,7-10H2;1,3,5,11,13,15H,2,4,6-9H2.
What are the key properties of 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?
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 has a molecular weight of 442.65 g/mol, XLogP of 3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162018965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).