(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine

C15H23N — CID 122523753

IUPAC(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine
SMILESCC(C)(C)/C=C1/C=CC=C/C1=N\C(C)(C)C
InChIInChI=1S/C15H23N/c1-14(2,3)11-12-9-7-8-10-13(12)16-15(4,5)6/h7-11H,1-6H3/b12-11-,16-13+
InChIKeyXWHYXNPCFOSDIY-PAZXJHTRSA-N
MW217.36 g/mol
LogP4.32
Rot. Bonds

About (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine

(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 122523753) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine
PubChem CID122523753
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine
SMILESCC(C)(C)/C=C1/C=CC=C/C1=N\C(C)(C)C
InChIInChI=1S/C15H23N/c1-14(2,3)11-12-9-7-8-10-13(12)16-15(4,5)6/h7-11H,1-6H3/b12-11-,16-13+
InChIKeyXWHYXNPCFOSDIY-PAZXJHTRSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine 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 (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine (CID 122523753) is (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine is CC(C)(C)/C=C1/C=CC=C/C1=N\C(C)(C)C.
What is the InChIKey of (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is XWHYXNPCFOSDIY-PAZXJHTRSA-N. The full InChI is InChI=1S/C15H23N/c1-14(2,3)11-12-9-7-8-10-13(12)16-15(4,5)6/h7-11H,1-6H3/b12-11-,16-13+.
What are the key properties of (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine?
(6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-tert-butyl-6-(2,2-dimethylpropylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 122523753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).