(1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

C18H18N2 — CID 134915932

IUPAC(1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCCC1=c2\cccc\c2=c2/cccc/c2=C(CC)/N=N\1
InChIInChI=1S/C18H18N2/c1-3-17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)18(4-2)20-19-17/h5-12H,3-4H2,1-2H3/b14-13-,17-15-,18-16-,19-17-,20-18-,20-19-
InChIKeyRZJVDYXVFSVWFC-ZIFXKFCRSA-N
MW262.36 g/mol
LogP3.48
Rot. Bonds2

About (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

(1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 134915932) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID134915932
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCCC1=c2\cccc\c2=c2/cccc/c2=C(CC)/N=N\1
InChIInChI=1S/C18H18N2/c1-3-17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)18(4-2)20-19-17/h5-12H,3-4H2,1-2H3/b14-13-,17-15-,18-16-,19-17-,20-18-,20-19-
InChIKeyRZJVDYXVFSVWFC-ZIFXKFCRSA-N
XLogP3.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 134915932) is (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is CCC1=c2\cccc\c2=c2/cccc/c2=C(CC)/N=N\1.
What is the InChIKey of (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is RZJVDYXVFSVWFC-ZIFXKFCRSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)18(4-2)20-19-17/h5-12H,3-4H2,1-2H3/b14-13-,17-15-,18-16-,19-17-,20-18-,20-19-.
What are the key properties of (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
(1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 262.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z,11Z)-8,11-diethyl-9,10-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 134915932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).