3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline

C18H21N — CID 142614805

IUPAC3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline
SMILESNc1cc(C2=CCCC=C2)cc(C2CC=CCC2)c1
InChIInChI=1S/C18H21N/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1,3,5,9-14H,2,4,6-8,19H2
InChIKeyRMZMMRNTVFGWGY-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.83
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline

3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline (PubChem CID 142614805) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline
PubChem CID142614805
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline
SMILESNc1cc(C2=CCCC=C2)cc(C2CC=CCC2)c1
InChIInChI=1S/C18H21N/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1,3,5,9-14H,2,4,6-8,19H2
InChIKeyRMZMMRNTVFGWGY-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline 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

(E)-[(10Z)-2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)-7-(3,5-diphenylphenyl)-10-propylidenephenanthren-9-ylidene]methanamine
CID 144542330
3-cyclohexa-1,5-dien-1-yl-5-(1,2,3,6-tetrahydropyridin-2-yl)benzonitrile
CID 144806345
2,5-di(cyclohexa-1,5-dien-1-yl)aniline
CID 170416463
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline
CID 145100479
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-2-amine
CID 146594518
2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole
CID 135143803
5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine
CID 141216323
4-cyclohex-3-en-1-ylbenzonitrile
CID 10866986
1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline (CID 142614805) is 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline is Nc1cc(C2=CCCC=C2)cc(C2CC=CCC2)c1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline?
The InChIKey is RMZMMRNTVFGWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1,3,5,9-14H,2,4,6-8,19H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline?
3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline has a molecular weight of 251.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylaniline is sourced from PubChem (CID 142614805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).