3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline

C24H26N2 — CID 22841438

IUPAC3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline
SMILESCC(Cc1cccc(N)c1)=c1ccc(=C(C)Cc2cccc(N)c2)cc1
InChIInChI=1S/C24H26N2/c1-17(13-19-5-3-7-23(25)15-19)21-9-11-22(12-10-21)18(2)14-20-6-4-8-24(26)16-20/h3-12,15-16H,13-14,25-26H2,1-2H3/b21-17-,22-18+
InChIKeyAFTHWCMUWRHULU-QGFZOGOGSA-N
MW342.49 g/mol
LogP3.68
Rot. Bonds4

About 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline

3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline (PubChem CID 22841438) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline.

Molecular Properties

Compound Name3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline
PubChem CID22841438
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline
SMILESCC(Cc1cccc(N)c1)=c1ccc(=C(C)Cc2cccc(N)c2)cc1
InChIInChI=1S/C24H26N2/c1-17(13-19-5-3-7-23(25)15-19)21-9-11-22(12-10-21)18(2)14-20-6-4-8-24(26)16-20/h3-12,15-16H,13-14,25-26H2,1-2H3/b21-17-,22-18+
InChIKeyAFTHWCMUWRHULU-QGFZOGOGSA-N
XLogP3.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
S-ethyl 2-(3-aminophenyl)ethanethioate
CID 21201588
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
1-(3-aminophenyl)-4-ethylhexan-2-one
CID 116577226
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
3-[2-(2-methylphenyl)prop-2-enyl]aniline
CID 143547599
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
1-(3-aminophenyl)-4-methylsulfonylbutan-2-one
CID 116577269
3-(chloromethyl)aniline
CID 18329590
3-(aminomethyl)aniline;dihydrochloride
CID 23346995

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline?
The IUPAC name of 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline (CID 22841438) is 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline.
What is the SMILES notation for 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline?
The canonical SMILES for 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline is CC(Cc1cccc(N)c1)=c1ccc(=C(C)Cc2cccc(N)c2)cc1.
What is the InChIKey of 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline?
The InChIKey is AFTHWCMUWRHULU-QGFZOGOGSA-N. The full InChI is InChI=1S/C24H26N2/c1-17(13-19-5-3-7-23(25)15-19)21-9-11-22(12-10-21)18(2)14-20-6-4-8-24(26)16-20/h3-12,15-16H,13-14,25-26H2,1-2H3/b21-17-,22-18+.
What are the key properties of 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline?
3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline has a molecular weight of 342.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline is sourced from PubChem (CID 22841438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).