1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine

C12H18N2 — CID 22617218

IUPAC1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine
SMILESCC(C)N=C1C=CC(=NC(C)C)C=C1
InChIInChI=1S/C12H18N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3/b13-11-,14-12+
InChIKeyFTAJTSOEZFABMB-HEEUSZRZSA-N
MW190.29 g/mol
LogP2.81
Rot. Bonds2

About 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine

1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine (PubChem CID 22617218) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine
PubChem CID22617218
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine
SMILESCC(C)N=C1C=CC(=NC(C)C)C=C1
InChIInChI=1S/C12H18N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3/b13-11-,14-12+
InChIKeyFTAJTSOEZFABMB-HEEUSZRZSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.81
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'}

Analyze 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine (CID 22617218) is 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine is CC(C)N=C1C=CC(=NC(C)C)C=C1.
What is the InChIKey of 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine?
The InChIKey is FTAJTSOEZFABMB-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3/b13-11-,14-12+.
What are the key properties of 1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine?
1-N,4-N-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine has a molecular weight of 190.29 g/mol, XLogP of 2.81, 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-di(propan-2-yl)cyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 22617218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).