N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline

C25H28N2 — CID 5471286

IUPACN-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline
SMILESC(/C=C(\Nc1ccccc1)C12CC3CC(CC(C3)C1)C2)=N/c1ccccc1
InChIInChI=1S/C25H28N2/c1-3-7-22(8-4-1)26-12-11-24(27-23-9-5-2-6-10-23)25-16-19-13-20(17-25)15-21(14-19)18-25/h1-12,19-21,27H,13-18H2/b24-11-,26-12-
InChIKeyKZEUNPDXJANZPR-MNCQFYKHSA-N
MW356.51 g/mol
LogP6.60
Rot. Bonds5

About N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline

N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline (PubChem CID 5471286) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline
PubChem CID5471286
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC NameN-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline
SMILESC(/C=C(\Nc1ccccc1)C12CC3CC(CC(C3)C1)C2)=N/c1ccccc1
InChIInChI=1S/C25H28N2/c1-3-7-22(8-4-1)26-12-11-24(27-23-9-5-2-6-10-23)25-16-19-13-20(17-25)15-21(14-19)18-25/h1-12,19-21,27H,13-18H2/b24-11-,26-12-
InChIKeyKZEUNPDXJANZPR-MNCQFYKHSA-N
XLogP6.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline 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-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline?
The IUPAC name of N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline (CID 5471286) is N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline is C(/C=C(\Nc1ccccc1)C12CC3CC(CC(C3)C1)C2)=N/c1ccccc1.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline?
The InChIKey is KZEUNPDXJANZPR-MNCQFYKHSA-N. The full InChI is InChI=1S/C25H28N2/c1-3-7-22(8-4-1)26-12-11-24(27-23-9-5-2-6-10-23)25-16-19-13-20(17-25)15-21(14-19)18-25/h1-12,19-21,27H,13-18H2/b24-11-,26-12-.
What are the key properties of N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline?
N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline has a molecular weight of 356.51 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline is sourced from PubChem (CID 5471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).