(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene

C16H22N2 — CID 21036483

IUPAC(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
SMILESc1cc2c3c(c1)C[C@@H]1CCCC[C@@H]1N3CCNC2
InChIInChI=1S/C16H22N2/c1-2-7-15-12(4-1)10-13-5-3-6-14-11-17-8-9-18(15)16(13)14/h3,5-6,12,15,17H,1-2,4,7-11H2/t12-,15-/m0/s1
InChIKeyYHRJYSIYVCTRGG-WFASDCNBSA-N
MW242.37 g/mol
LogP2.71
Rot. Bonds

About (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene

(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene (PubChem CID 21036483) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene.

Molecular Properties

Compound Name(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
PubChem CID21036483
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
SMILESc1cc2c3c(c1)C[C@@H]1CCCC[C@@H]1N3CCNC2
InChIInChI=1S/C16H22N2/c1-2-7-15-12(4-1)10-13-5-3-6-14-11-17-8-9-18(15)16(13)14/h3,5-6,12,15,17H,1-2,4,7-11H2/t12-,15-/m0/s1
InChIKeyYHRJYSIYVCTRGG-WFASDCNBSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
The IUPAC name of (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene (CID 21036483) is (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene.
What is the SMILES notation for (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
The canonical SMILES for (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene is c1cc2c3c(c1)C[C@@H]1CCCC[C@@H]1N3CCNC2.
What is the InChIKey of (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
The InChIKey is YHRJYSIYVCTRGG-WFASDCNBSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-7-15-12(4-1)10-13-5-3-6-14-11-17-8-9-18(15)16(13)14/h3,5-6,12,15,17H,1-2,4,7-11H2/t12-,15-/m0/s1.
What are the key properties of (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene?
(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene has a molecular weight of 242.37 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene is sourced from PubChem (CID 21036483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).