N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline

C23H26N2 — CID 23015688

IUPACN-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCC1=C(C)CC(c2ccccc2/C=N/Nc2c(C)cc(C)cc2C)=C1
InChIInChI=1S/C23H26N2/c1-15-10-18(4)23(19(5)11-15)25-24-14-20-8-6-7-9-22(20)21-12-16(2)17(3)13-21/h6-12,14,25H,13H2,1-5H3/b24-14+
InChIKeyFMYSZIYLYHJNGH-ZVHZXABRSA-N
MW330.48 g/mol
LogP6.18
Rot. Bonds4

About N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline

N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (PubChem CID 23015688) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
PubChem CID23015688
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCC1=C(C)CC(c2ccccc2/C=N/Nc2c(C)cc(C)cc2C)=C1
InChIInChI=1S/C23H26N2/c1-15-10-18(4)23(19(5)11-15)25-24-14-20-8-6-7-9-22(20)21-12-16(2)17(3)13-21/h6-12,14,25H,13H2,1-5H3/b24-14+
InChIKeyFMYSZIYLYHJNGH-ZVHZXABRSA-N
XLogP6.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline 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-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 68552200
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015876
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015554
N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 68544601
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016126
N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
CID 68551918
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533144
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532425
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The IUPAC name of N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (CID 23015688) is N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is CC1=C(C)CC(c2ccccc2/C=N/Nc2c(C)cc(C)cc2C)=C1.
What is the InChIKey of N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The InChIKey is FMYSZIYLYHJNGH-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H26N2/c1-15-10-18(4)23(19(5)11-15)25-24-14-20-8-6-7-9-22(20)21-12-16(2)17(3)13-21/h6-12,14,25H,13H2,1-5H3/b24-14+.
What are the key properties of N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline has a molecular weight of 330.48 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is sourced from PubChem (CID 23015688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).