diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium

C10H15N2+ — CID 15597190

IUPACdiethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
SMILES[H]N=C1C=CC(=[N+](CC)CC)C=C1
InChIInChI=1S/C10H15N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3/q+1
InChIKeyJUDOACQYKSPSPE-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.63
Rot. Bonds2

About diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium

diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 15597190) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namediethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID15597190
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Namediethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
SMILES[H]N=C1C=CC(=[N+](CC)CC)C=C1
InChIInChI=1S/C10H15N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3/q+1
InChIKeyJUDOACQYKSPSPE-UHFFFAOYSA-N
XLogP1.63
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium (CID 15597190) is diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium is [H]N=C1C=CC(=[N+](CC)CC)C=C1.
What is the InChIKey of diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is JUDOACQYKSPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3/q+1.
What are the key properties of diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 163.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-iminocyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 15597190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).