(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene

C17H16N2 — CID 23049989

IUPAC(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
SMILESCC1=C2CC3=c4c(C)c(C)c(c1c4/C=C\C/N=C\3)=N2
InChIInChI=1S/C17H16N2/c1-9-10(2)17-16-11(3)14(19-17)7-12-8-18-6-4-5-13(16)15(9)12/h4-5,8H,6-7H2,1-3H3/b5-4-,18-8-
InChIKeyJLOCRXXXZFXWBO-SMFXAUKCSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds

About (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene

(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene (PubChem CID 23049989) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene.

Molecular Properties

Compound Name(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
PubChem CID23049989
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
SMILESCC1=C2CC3=c4c(C)c(C)c(c1c4/C=C\C/N=C\3)=N2
InChIInChI=1S/C17H16N2/c1-9-10(2)17-16-11(3)14(19-17)7-12-8-18-6-4-5-13(16)15(9)12/h4-5,8H,6-7H2,1-3H3/b5-4-,18-8-
InChIKeyJLOCRXXXZFXWBO-SMFXAUKCSA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene with MolForge

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Related Compounds

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CID 56982993
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Frequently Asked Questions

What is the IUPAC name of (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
The IUPAC name of (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene (CID 23049989) is (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene.
What is the SMILES notation for (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
The canonical SMILES for (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene is CC1=C2CC3=c4c(C)c(C)c(c1c4/C=C\C/N=C\3)=N2.
What is the InChIKey of (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
The InChIKey is JLOCRXXXZFXWBO-SMFXAUKCSA-N. The full InChI is InChI=1S/C17H16N2/c1-9-10(2)17-16-11(3)14(19-17)7-12-8-18-6-4-5-13(16)15(9)12/h4-5,8H,6-7H2,1-3H3/b5-4-,18-8-.
What are the key properties of (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene?
(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene has a molecular weight of 248.33 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene is sourced from PubChem (CID 23049989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).