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

C23H26N2 — CID 68552200

IUPACN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCC1=CC(C)=C(c2ccccc2C=NNc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C23H26N2/c1-15-11-18(4)23(19(5)12-15)25-24-14-20-8-6-7-9-21(20)22-13-16(2)10-17(22)3/h6-12,14,25H,13H2,1-5H3
InChIKeyNVQYQWMYUQOKPW-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.18
Rot. Bonds4

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

N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (PubChem CID 68552200) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
PubChem CID68552200
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCC1=CC(C)=C(c2ccccc2C=NNc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C23H26N2/c1-15-11-18(4)23(19(5)12-15)25-24-14-20-8-6-7-9-21(20)22-13-16(2)10-17(22)3/h6-12,14,25H,13H2,1-5H3
InChIKeyNVQYQWMYUQOKPW-UHFFFAOYSA-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-[[2-(2,4-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-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015688
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016126
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
1-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-2-ethylbenzene
CID 23015065
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]-N-phenylethanimine
CID 23015921
1-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-1-one
CID 23015537
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 23015524
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016141
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The IUPAC name of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (CID 68552200) is N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The canonical SMILES for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is CC1=CC(C)=C(c2ccccc2C=NNc2c(C)cc(C)cc2C)C1.
What is the InChIKey of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The InChIKey is NVQYQWMYUQOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-15-11-18(4)23(19(5)12-15)25-24-14-20-8-6-7-9-21(20)22-13-16(2)10-17(22)3/h6-12,14,25H,13H2,1-5H3.
What are the key properties of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
N-[[2-(2,4-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-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is sourced from PubChem (CID 68552200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).