N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline

C19H18N2 — CID 68544601

IUPACN-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
SMILESCC1=CCC(c2ccccc2C=NNc2ccccc2)=C1
InChIInChI=1S/C19H18N2/c1-15-11-12-16(13-15)19-10-6-5-7-17(19)14-20-21-18-8-3-2-4-9-18/h2-11,13-14,21H,12H2,1H3
InChIKeyGCBRJLJINXGIOY-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.87
Rot. Bonds4

About N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline

N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline (PubChem CID 68544601) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
PubChem CID68544601
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
SMILESCC1=CCC(c2ccccc2C=NNc2ccccc2)=C1
InChIInChI=1S/C19H18N2/c1-15-11-12-16(13-15)19-10-6-5-7-17(19)14-20-21-18-8-3-2-4-9-18/h2-11,13-14,21H,12H2,1H3
InChIKeyGCBRJLJINXGIOY-UHFFFAOYSA-N
XLogP4.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.87
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-tert-butyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 23015455
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 23015524
4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 68543442
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016126
N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015688
1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol
CID 68553110
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline (CID 68544601) is N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline is CC1=CCC(c2ccccc2C=NNc2ccccc2)=C1.
What is the InChIKey of N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
The InChIKey is GCBRJLJINXGIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-15-11-12-16(13-15)19-10-6-5-7-17(19)14-20-21-18-8-3-2-4-9-18/h2-11,13-14,21H,12H2,1H3.
What are the key properties of N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline?
N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline has a molecular weight of 274.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 68544601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).