5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine

C14H15N3 — CID 67436441

IUPAC5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine
SMILES[H]/N=C1\C=CC(C=CC2=C/C(=N/[H])C/C(=N\[H])C2)=CC1
InChIInChI=1S/C14H15N3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-5,7,15-17H,6,8-9H2/b2-1?,15-12+,16-13-,17-14-
InChIKeyUQMPLARLOVJVKZ-FNRDTONCSA-N
MW225.30 g/mol
LogP3.21
Rot. Bonds2

About 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine

5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine (PubChem CID 67436441) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine.

Molecular Properties

Compound Name5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine
PubChem CID67436441
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine
SMILES[H]/N=C1\C=CC(C=CC2=C/C(=N/[H])C/C(=N\[H])C2)=CC1
InChIInChI=1S/C14H15N3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-5,7,15-17H,6,8-9H2/b2-1?,15-12+,16-13-,17-14-
InChIKeyUQMPLARLOVJVKZ-FNRDTONCSA-N
XLogP3.21
TPSA71.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine?
The IUPAC name of 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine (CID 67436441) is 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine.
What is the SMILES notation for 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine?
The canonical SMILES for 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine is [H]/N=C1\C=CC(C=CC2=C/C(=N/[H])C/C(=N\[H])C2)=CC1.
What is the InChIKey of 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine?
The InChIKey is UQMPLARLOVJVKZ-FNRDTONCSA-N. The full InChI is InChI=1S/C14H15N3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-5,7,15-17H,6,8-9H2/b2-1?,15-12+,16-13-,17-14-.
What are the key properties of 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine?
5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine has a molecular weight of 225.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine is sourced from PubChem (CID 67436441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).