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

C24H22N2 — CID 23014676

IUPACN-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
SMILESCC1=CCC(c2ccc3ccccc3c2/C=N/Nc2ccccc2)=C1C
InChIInChI=1S/C24H22N2/c1-17-12-14-21(18(17)2)23-15-13-19-8-6-7-11-22(19)24(23)16-25-26-20-9-4-3-5-10-20/h3-13,15-16,26H,14H2,1-2H3/b25-16+
InChIKeySPIATDMEENLXNR-PCLIKHOPSA-N
MW338.45 g/mol
LogP6.41
Rot. Bonds4

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

N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline (PubChem CID 23014676) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
PubChem CID23014676
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC NameN-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
SMILESCC1=CCC(c2ccc3ccccc3c2/C=N/Nc2ccccc2)=C1C
InChIInChI=1S/C24H22N2/c1-17-12-14-21(18(17)2)23-15-13-19-8-6-7-11-22(19)24(23)16-25-26-20-9-4-3-5-10-20/h3-13,15-16,26H,14H2,1-2H3/b25-16+
InChIKeySPIATDMEENLXNR-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline (CID 23014676) is N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline is CC1=CCC(c2ccc3ccccc3c2/C=N/Nc2ccccc2)=C1C.
What is the InChIKey of N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
The InChIKey is SPIATDMEENLXNR-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H22N2/c1-17-12-14-21(18(17)2)23-15-13-19-8-6-7-11-22(19)24(23)16-25-26-20-9-4-3-5-10-20/h3-13,15-16,26H,14H2,1-2H3/b25-16+.
What are the key properties of N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline 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-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline is sourced from PubChem (CID 23014676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).