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

C24H22N2 — CID 23016126

IUPACN-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
SMILESCC1=CC(C)=C(c2ccccc2/C=N/Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C24H22N2/c1-17-13-18(2)24(14-17)23-10-6-5-9-21(23)16-25-26-22-12-11-19-7-3-4-8-20(19)15-22/h3-13,15-16,26H,14H2,1-2H3/b25-16+
InChIKeyJWWFMCWXQOANFP-PCLIKHOPSA-N
MW338.45 g/mol
LogP6.41
Rot. Bonds4

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

N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine (PubChem CID 23016126) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
PubChem CID23016126
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC NameN-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
SMILESCC1=CC(C)=C(c2ccccc2/C=N/Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C24H22N2/c1-17-13-18(2)24(14-17)23-10-6-5-9-21(23)16-25-26-22-12-11-19-7-3-4-8-20(19)15-22/h3-13,15-16,26H,14H2,1-2H3/b25-16+
InChIKeyJWWFMCWXQOANFP-PCLIKHOPSA-N
XLogP6.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.41
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-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 68552200
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016141
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23015587
N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23015730
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
CID 17019849
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 68544601
N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015688
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 23015649

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The IUPAC name of N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine (CID 23016126) is N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine.
What is the SMILES notation for N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The canonical SMILES for N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine is CC1=CC(C)=C(c2ccccc2/C=N/Nc2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The InChIKey is JWWFMCWXQOANFP-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H22N2/c1-17-13-18(2)24(14-17)23-10-6-5-9-21(23)16-25-26-22-12-11-19-7-3-4-8-20(19)15-22/h3-13,15-16,26H,14H2,1-2H3/b25-16+.
What are the key properties of N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine has a molecular weight of 338.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine is sourced from PubChem (CID 23016126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).