(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene

C15H20N2 — CID 20576995

IUPAC(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
SMILESc1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCCC2
InChIInChI=1S/C15H20N2/c1-2-9-17-14-7-8-16-10-13(14)12-6-3-5-11(4-1)15(12)17/h3,5-6,13-14,16H,1-2,4,7-10H2/t13-,14-/m1/s1
InChIKeyDPRWLTPMPVJESF-ZIAGYGMSSA-N
MW228.34 g/mol
LogP2.29
Rot. Bonds

About (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene

(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene (PubChem CID 20576995) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene.

Molecular Properties

Compound Name(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
PubChem CID20576995
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
SMILESc1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCCC2
InChIInChI=1S/C15H20N2/c1-2-9-17-14-7-8-16-10-13(14)12-6-3-5-11(4-1)15(12)17/h3,5-6,13-14,16H,1-2,4,7-10H2/t13-,14-/m1/s1
InChIKeyDPRWLTPMPVJESF-ZIAGYGMSSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
The IUPAC name of (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene (CID 20576995) is (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene.
What is the SMILES notation for (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
The canonical SMILES for (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene is c1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCCC2.
What is the InChIKey of (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
The InChIKey is DPRWLTPMPVJESF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-9-17-14-7-8-16-10-13(14)12-6-3-5-11(4-1)15(12)17/h3,5-6,13-14,16H,1-2,4,7-10H2/t13-,14-/m1/s1.
What are the key properties of (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene has a molecular weight of 228.34 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene is sourced from PubChem (CID 20576995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).