N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline

C22H25N3 — CID 141067133

IUPACN-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline
SMILESCc1ccccc1NN=C(CC1C=CC=C1N(C)C)c1ccccc1
InChIInChI=1S/C22H25N3/c1-17-10-7-8-14-20(17)23-24-21(18-11-5-4-6-12-18)16-19-13-9-15-22(19)25(2)3/h4-15,19,23H,16H2,1-3H3
InChIKeyHSPJDRBLHFXSLV-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.83
Rot. Bonds6

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

N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline (PubChem CID 141067133) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline
PubChem CID141067133
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline
SMILESCc1ccccc1NN=C(CC1C=CC=C1N(C)C)c1ccccc1
InChIInChI=1S/C22H25N3/c1-17-10-7-8-14-20(17)23-24-21(18-11-5-4-6-12-18)16-19-13-9-15-22(19)25(2)3/h4-15,19,23H,16H2,1-3H3
InChIKeyHSPJDRBLHFXSLV-UHFFFAOYSA-N
XLogP4.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline 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-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline
CID 141067292
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
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
N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline
CID 87493998
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-[(Z)-[1-phenyl-2-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]ethylidene]amino]aniline
CID 7236044
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
CID 9014574
methyl 3-[(Z)-N'-(2-methylanilino)carbamimidoyl]benzoate
CID 140531463
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-methylaniline
CID 9014748

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline?
The IUPAC name of N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline (CID 141067133) is N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline.
What is the SMILES notation for N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline?
The canonical SMILES for N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline is Cc1ccccc1NN=C(CC1C=CC=C1N(C)C)c1ccccc1.
What is the InChIKey of N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline?
The InChIKey is HSPJDRBLHFXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-10-7-8-14-20(17)23-24-21(18-11-5-4-6-12-18)16-19-13-9-15-22(19)25(2)3/h4-15,19,23H,16H2,1-3H3.
What are the key properties of N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline?
N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline has a molecular weight of 331.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]-1-phenylethylidene]amino]-2-methylaniline is sourced from PubChem (CID 141067133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).