(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine

C26H30N4 — CID 21029087

IUPAC(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C26H30N4/c1-5-21-13-19(14-22-6-2-10-29(9-1)25(21)22)17-27-28-18-20-15-23-7-3-11-30-12-4-8-24(16-20)26(23)30/h13-18H,1-12H2/b27-17+,28-18+
InChIKeyKOPDLKFRJZVRAV-XUIWWLCJSA-N
MW398.55 g/mol
LogP4.54
Rot. Bonds3

About (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine

(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine (PubChem CID 21029087) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine
PubChem CID21029087
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC Name(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C26H30N4/c1-5-21-13-19(14-22-6-2-10-29(9-1)25(21)22)17-27-28-18-20-15-23-7-3-11-30-12-4-8-24(16-20)26(23)30/h13-18H,1-12H2/b27-17+,28-18+
InChIKeyKOPDLKFRJZVRAV-XUIWWLCJSA-N
XLogP4.54
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine (CID 21029087) is (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine is C(=N/N=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine?
The InChIKey is KOPDLKFRJZVRAV-XUIWWLCJSA-N. The full InChI is InChI=1S/C26H30N4/c1-5-21-13-19(14-22-6-2-10-29(9-1)25(21)22)17-27-28-18-20-15-23-7-3-11-30-12-4-8-24(16-20)26(23)30/h13-18H,1-12H2/b27-17+,28-18+.
What are the key properties of (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine?
(E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine has a molecular weight of 398.55 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]methanimine is sourced from PubChem (CID 21029087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).