1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine

C13H20N2 — CID 101338172

IUPAC1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
SMILESCC(C)/N=C1\C=CC=CC\C1=N/C(C)C
InChIInChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11H,9H2,1-4H3/b14-12+,15-13+
InChIKeyWTKTZDHSCKRTLA-QUMQEAAQSA-N
MW204.32 g/mol
LogP3.20
Rot. Bonds2

About 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine

1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine (PubChem CID 101338172) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
PubChem CID101338172
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
SMILESCC(C)/N=C1\C=CC=CC\C1=N/C(C)C
InChIInChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11H,9H2,1-4H3/b14-12+,15-13+
InChIKeyWTKTZDHSCKRTLA-QUMQEAAQSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine with MolForge

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

Launch Full Analysis

Related Compounds

6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
(2S)-2,7-dimethyl-2H-azepine
CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
2,4,4-Trimethyl-3,4-dihydro-1,5-benz odiazepine
CID 129787572
(2R)-7-butyl-2-methyl-2H-azepine
CID 134989384
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 53727885
2-N-prop-1-en-2-yl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 68004177
2-Methyl-2,3-dihydroquinoxaline
CID 69756146
7-ethyl-2H-azepine
CID 70338626
2,7-dimethyl-2H-azepine
CID 70338629

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine (CID 101338172) is 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine is CC(C)/N=C1\C=CC=CC\C1=N/C(C)C.
What is the InChIKey of 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine?
The InChIKey is WTKTZDHSCKRTLA-QUMQEAAQSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11H,9H2,1-4H3/b14-12+,15-13+.
What are the key properties of 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine?
1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine is sourced from PubChem (CID 101338172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).