N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline

C22H18N2 — CID 68547599

IUPACN-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
SMILESC1=CCC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1
InChIInChI=1S/C22H18N2/c1-2-11-19(12-3-1)24-23-16-22-20-13-7-6-10-18(20)14-15-21(22)17-8-4-5-9-17/h1-8,10-16,24H,9H2
InChIKeyVSUORNKDOBOSNA-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.63
Rot. Bonds4

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

N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline (PubChem CID 68547599) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
PubChem CID68547599
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC NameN-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
SMILESC1=CCC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1
InChIInChI=1S/C22H18N2/c1-2-11-19(12-3-1)24-23-16-22-20-13-7-6-10-18(20)14-15-21(22)17-8-4-5-9-17/h1-8,10-16,24H,9H2
InChIKeyVSUORNKDOBOSNA-UHFFFAOYSA-N
XLogP5.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.63
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'}

Analyze N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline 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-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
CID 68551918
N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline
CID 23015221
1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
CID 19892519
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 23015478
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
[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6031687
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3502154
1-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylthiourea
CID 932713
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
The IUPAC name of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline (CID 68547599) is N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
The canonical SMILES for N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline is C1=CCC(c2ccc3ccccc3c2C=NNc2ccccc2)=C1.
What is the InChIKey of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
The InChIKey is VSUORNKDOBOSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-2-11-19(12-3-1)24-23-16-22-20-13-7-6-10-18(20)14-15-21(22)17-8-4-5-9-17/h1-8,10-16,24H,9H2.
What are the key properties of N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline?
N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline has a molecular weight of 310.40 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline is sourced from PubChem (CID 68547599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).