N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine

C12H17N — CID 20532021

IUPACN-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1C(=C)C=CC=C1C(C)(C)C
InChIInChI=1S/C12H17N/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8,11H,1,5H2,2-4H3
InChIKeyADOLWYRSRBVCRZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.15
Rot. Bonds1

About N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine

N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 20532021) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
PubChem CID20532021
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1C(=C)C=CC=C1C(C)(C)C
InChIInChI=1S/C12H17N/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8,11H,1,5H2,2-4H3
InChIKeyADOLWYRSRBVCRZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine 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 N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine (CID 20532021) is N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine is C=NC1C(=C)C=CC=C1C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is ADOLWYRSRBVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-7-6-8-10(11(9)13-5)12(2,3)4/h6-8,11H,1,5H2,2-4H3.
What are the key properties of N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 175.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 20532021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).