6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine

C15H23N — CID 146651380

IUPAC6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H23N/c1-12-9-7-8-10-13(12)16-15(5,6)11-14(2,3)4/h7-10H,1,11H2,2-6H3/b16-13+
InChIKeyXBBYBPKFRMKFBG-DTQAZKPQSA-N
MW217.36 g/mol
LogP4.32
Rot. Bonds2

About 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine

6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine (PubChem CID 146651380) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine
PubChem CID146651380
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H23N/c1-12-9-7-8-10-13(12)16-15(5,6)11-14(2,3)4/h7-10H,1,11H2,2-6H3/b16-13+
InChIKeyXBBYBPKFRMKFBG-DTQAZKPQSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)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 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine (CID 146651380) is 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N\C(C)(C)CC(C)(C)C.
What is the InChIKey of 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine?
The InChIKey is XBBYBPKFRMKFBG-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23N/c1-12-9-7-8-10-13(12)16-15(5,6)11-14(2,3)4/h7-10H,1,11H2,2-6H3/b16-13+.
What are the key properties of 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine?
6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 146651380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).