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

C24H22N2 — CID 68551918

IUPACN-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
SMILESCC1=C(C)CC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1
InChIInChI=1S/C24H22N2/c1-17-14-20(15-18(17)2)23-13-12-19-8-6-7-11-22(19)24(23)16-25-26-21-9-4-3-5-10-21/h3-14,16,26H,15H2,1-2H3
InChIKeyLRSKISVHSZHZSV-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.41
Rot. Bonds4

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

N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline (PubChem CID 68551918) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
PubChem CID68551918
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC NameN-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
SMILESCC1=C(C)CC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1
InChIInChI=1S/C24H22N2/c1-17-14-20(15-18(17)2)23-13-12-19-8-6-7-11-22(19)24(23)16-25-26-21-9-4-3-5-10-21/h3-14,16,26H,15H2,1-2H3
InChIKeyLRSKISVHSZHZSV-UHFFFAOYSA-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-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
The IUPAC name of N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline (CID 68551918) is N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline is CC1=C(C)CC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
The InChIKey is LRSKISVHSZHZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-17-14-20(15-18(17)2)23-13-12-19-8-6-7-11-22(19)24(23)16-25-26-21-9-4-3-5-10-21/h3-14,16,26H,15H2,1-2H3.
What are the key properties of N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline?
N-[[2-(3,4-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-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline is sourced from PubChem (CID 68551918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).