(Z)-2-tert-butyl-4-phenylbut-2-en-1-imine

C14H19N — CID 145067950

IUPAC(Z)-2-tert-butyl-4-phenylbut-2-en-1-imine
SMILES[H]/N=C/C(=C\Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H19N/c1-14(2,3)13(11-15)10-9-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3/b13-10+,15-11+
InChIKeyZRODDFFISJLDKM-FVIOEUFFSA-N
MW201.31 g/mol
LogP3.85
Rot. Bonds3

About (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine

(Z)-2-tert-butyl-4-phenylbut-2-en-1-imine (PubChem CID 145067950) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-4-phenylbut-2-en-1-imine
PubChem CID145067950
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(Z)-2-tert-butyl-4-phenylbut-2-en-1-imine
SMILES[H]/N=C/C(=C\Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H19N/c1-14(2,3)13(11-15)10-9-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3/b13-10+,15-11+
InChIKeyZRODDFFISJLDKM-FVIOEUFFSA-N
XLogP3.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-tert-butyl-4-phenylbut-2-en-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 (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine?
The IUPAC name of (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine (CID 145067950) is (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine is [H]/N=C/C(=C\Cc1ccccc1)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine?
The InChIKey is ZRODDFFISJLDKM-FVIOEUFFSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2,3)13(11-15)10-9-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3/b13-10+,15-11+.
What are the key properties of (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine?
(Z)-2-tert-butyl-4-phenylbut-2-en-1-imine has a molecular weight of 201.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-4-phenylbut-2-en-1-imine is sourced from PubChem (CID 145067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).