N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline

C25H29N — CID 145100479

IUPACN-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline
SMILESCN(c1ccc(C2=CCCC=C2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H29N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h4,8-9,12-19,21H,2-3,5-7,10-11H2,1H3
InChIKeyDHVBWPQREHLMBK-UHFFFAOYSA-N
MW343.51 g/mol
LogP7.24
Rot. Bonds4

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline (PubChem CID 145100479) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline
PubChem CID145100479
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline
SMILESCN(c1ccc(C2=CCCC=C2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H29N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h4,8-9,12-19,21H,2-3,5-7,10-11H2,1H3
InChIKeyDHVBWPQREHLMBK-UHFFFAOYSA-N
XLogP7.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline 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

4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline
CID 138456770
N-[4-[(1E,7Z)-cycloocta-1,7-dien-4-yn-1-yl]phenyl]-N,4-dimethylaniline
CID 145303081
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline (CID 145100479) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline is CN(c1ccc(C2=CCCC=C2)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline?
The InChIKey is DHVBWPQREHLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h4,8-9,12-19,21H,2-3,5-7,10-11H2,1H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline?
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline has a molecular weight of 343.51 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-cyclohexyl-N-methylaniline is sourced from PubChem (CID 145100479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).