N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline

C24H23N3 — CID 23015221

IUPACN-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline
SMILESCN(C)C1=C(c2ccc3ccccc3c2/C=N/Nc2ccccc2)CC=C1
InChIInChI=1S/C24H23N3/c1-27(2)24-14-8-13-22(24)21-16-15-18-9-6-7-12-20(18)23(21)17-25-26-19-10-4-3-5-11-19/h3-12,14-17,26H,13H2,1-2H3/b25-17+
InChIKeyKWEDFKXTBKSDCI-KOEQRZSOSA-N
MW353.47 g/mol
LogP5.52
Rot. Bonds5

About N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline

N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline (PubChem CID 23015221) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline
PubChem CID23015221
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC NameN-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline
SMILESCN(C)C1=C(c2ccc3ccccc3c2/C=N/Nc2ccccc2)CC=C1
InChIInChI=1S/C24H23N3/c1-27(2)24-14-8-13-22(24)21-16-15-18-9-6-7-12-20(18)23(21)17-25-26-19-10-4-3-5-11-19/h3-12,14-17,26H,13H2,1-2H3/b25-17+
InChIKeyKWEDFKXTBKSDCI-KOEQRZSOSA-N
XLogP5.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.52
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'}

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Related Compounds

N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
CID 68547599
N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
CID 68551918
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 23015524
4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 23015478
3-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalene-2-carbonitrile
CID 23014662
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3502154
1-[(Z)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 136833641
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016141
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
CID 110840761
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
1-[4-[1-(butyliminomethyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 68544297

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline (CID 23015221) is N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline is CN(C)C1=C(c2ccc3ccccc3c2/C=N/Nc2ccccc2)CC=C1.
What is the InChIKey of N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline?
The InChIKey is KWEDFKXTBKSDCI-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H23N3/c1-27(2)24-14-8-13-22(24)21-16-15-18-9-6-7-12-20(18)23(21)17-25-26-19-10-4-3-5-11-19/h3-12,14-17,26H,13H2,1-2H3/b25-17+.
What are the key properties of N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline?
N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline has a molecular weight of 353.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline is sourced from PubChem (CID 23015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).