N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline

C24H28N2 — CID 141067292

IUPACN-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline
SMILESCc1ccccc1NN=C(CC1C=CC=C1C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H28N2/c1-18-11-8-9-16-22(18)25-26-23(19-12-6-5-7-13-19)17-20-14-10-15-21(20)24(2,3)4/h5-16,20,25H,17H2,1-4H3
InChIKeyJCFPABBHVKNLPX-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.36
Rot. Bonds5

About N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline

N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline (PubChem CID 141067292) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline.

Molecular Properties

Compound NameN-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline
PubChem CID141067292
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC NameN-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline
SMILESCc1ccccc1NN=C(CC1C=CC=C1C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H28N2/c1-18-11-8-9-16-22(18)25-26-23(19-12-6-5-7-13-19)17-20-14-10-15-21(20)24(2,3)4/h5-16,20,25H,17H2,1-4H3
InChIKeyJCFPABBHVKNLPX-UHFFFAOYSA-N
XLogP6.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.36
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'}

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Related Compounds

N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline
CID 141067133
2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline
CID 141067500
N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
CID 141067556
N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
CID 141067348
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-5-phenylpentan-2-ol
CID 5369580
N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline
CID 87493998
N'-(2-methylphenyl)-N-phenylmethanediamine
CID 14173164
N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline
CID 7236044
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline?
The IUPAC name of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline (CID 141067292) is N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline.
What is the SMILES notation for N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline?
The canonical SMILES for N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline is Cc1ccccc1NN=C(CC1C=CC=C1C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline?
The InChIKey is JCFPABBHVKNLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-18-11-8-9-16-22(18)25-26-23(19-12-6-5-7-13-19)17-20-14-10-15-21(20)24(2,3)4/h5-16,20,25H,17H2,1-4H3.
What are the key properties of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline?
N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline has a molecular weight of 344.50 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline is sourced from PubChem (CID 141067292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).