4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline

C19H23N — CID 163845764

IUPAC4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\C=CC=CC(C)(C)C=C2)cc1
InChIInChI=1S/C19H23N/c1-19(2)13-6-5-7-16(12-14-19)15-17-8-10-18(11-9-17)20(3)4/h5-15H,1-4H3/b7-5?,13-6?,14-12?,16-15+
InChIKeyOPZVBPVVEZHJMF-LFWYNKLASA-N
MW265.40 g/mol
LogP4.84
Rot. Bonds2

About 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline

4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline (PubChem CID 163845764) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline
PubChem CID163845764
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\C=CC=CC(C)(C)C=C2)cc1
InChIInChI=1S/C19H23N/c1-19(2)13-6-5-7-16(12-14-19)15-17-8-10-18(11-9-17)20(3)4/h5-15H,1-4H3/b7-5?,13-6?,14-12?,16-15+
InChIKeyOPZVBPVVEZHJMF-LFWYNKLASA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline 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

[4-[[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]cyclobuten-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 20721960
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-(4-tricyclo[5.2.1.02,6]deca-2,5-dienylidenemethyl)aniline
CID 14810239
CID 102273448
CID 102273448
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 70294018
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
(3Z,5Z)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
CID 45281164

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline (CID 163845764) is 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C2\C=CC=CC(C)(C)C=C2)cc1.
What is the InChIKey of 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline?
The InChIKey is OPZVBPVVEZHJMF-LFWYNKLASA-N. The full InChI is InChI=1S/C19H23N/c1-19(2)13-6-5-7-16(12-14-19)15-17-8-10-18(11-9-17)20(3)4/h5-15H,1-4H3/b7-5?,13-6?,14-12?,16-15+.
What are the key properties of 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline?
4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline has a molecular weight of 265.40 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6,6-dimethylcycloocta-2,4,7-trien-1-ylidene)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 163845764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).