N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide

C18H20N2 — CID 144569212

IUPACN'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\CCC1=CCC=CC=C1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2/c1-15-9-11-17(12-10-15)18(19-2)20-14-13-16-7-5-3-4-6-8-16/h3-5,7-12H,2,6,13-14H2,1H3/b20-18-
InChIKeyHSMVAFGPOCQFGS-ZZEZOPTASA-N
MW264.37 g/mol
LogP4.27
Rot. Bonds4

About N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide

N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide (PubChem CID 144569212) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide
PubChem CID144569212
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\CCC1=CCC=CC=C1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2/c1-15-9-11-17(12-10-15)18(19-2)20-14-13-16-7-5-3-4-6-8-16/h3-5,7-12H,2,6,13-14H2,1H3/b20-18-
InChIKeyHSMVAFGPOCQFGS-ZZEZOPTASA-N
XLogP4.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide 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-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide (CID 144569212) is N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide is C=N/C(=N\CCC1=CCC=CC=C1)c1ccc(C)cc1.
What is the InChIKey of N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide?
The InChIKey is HSMVAFGPOCQFGS-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20N2/c1-15-9-11-17(12-10-15)18(19-2)20-14-13-16-7-5-3-4-6-8-16/h3-5,7-12H,2,6,13-14H2,1H3/b20-18-.
What are the key properties of N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide?
N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohepta-1,4,6-trien-1-ylethyl)-4-methyl-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 144569212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).