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

Related Compounds

N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine
CID 143238386
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide
CID 145161963
cyclohepta-1,4,6-trien-1-ylmethyl hydrogen carbonate
CID 143297342
N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111814110
N-[(E)-[4-(8H-benzo[7]annulen-5-yl)phenyl]-cyclohexa-2,4-dien-1-ylidenemethyl]methanimine
CID 142324142
cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108
N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine
CID 142877434
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
CID 122397383
(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol
CID 143018409
N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
CID 163815905

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).