1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine

C10H14N2 — CID 15936105

IUPAC1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
SMILESCCN=C1C=CC(=NCC)C=C1
InChIInChI=1S/C10H14N2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3/b11-9-,12-10+
InChIKeyILJWICYGTNRVBW-DSOJMZEYSA-N
MW162.24 g/mol
LogP2.03
Rot. Bonds2

About 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine

1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 15936105) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
PubChem CID15936105
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
SMILESCCN=C1C=CC(=NCC)C=C1
InChIInChI=1S/C10H14N2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3/b11-9-,12-10+
InChIKeyILJWICYGTNRVBW-DSOJMZEYSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine (CID 15936105) is 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine is CCN=C1C=CC(=NCC)C=C1.
What is the InChIKey of 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is ILJWICYGTNRVBW-DSOJMZEYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3/b11-9-,12-10+.
What are the key properties of 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine?
1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 15936105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).