N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline

C17H21N — CID 163940531

IUPACN-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
SMILESC=CCCCN(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h2,4,6-8,11-14H,1,3,5,9-10,15H2
InChIKeyRQPHCYGOSOZVSC-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.69
Rot. Bonds6

About N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline

N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline (PubChem CID 163940531) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
PubChem CID163940531
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
SMILESC=CCCCN(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h2,4,6-8,11-14H,1,3,5,9-10,15H2
InChIKeyRQPHCYGOSOZVSC-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline 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-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
CID 146563747
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 142973310
butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane
CID 143893831
N,N-dibenzylcyclohexa-1,5-dien-1-amine
CID 142853635
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-(N-[4-(4-methylphenyl)phenyl]anilino)phenyl]aniline;bis(2-methylcyclohexa-1,3-diene);1-methyl-4-(4-methylphenyl)benzene;toluene
CID 143613345
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(N-hepta-1,5-dien-2-ylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 123929394
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
N-but-3-enyl-4-chloro-N-(6-cyclohexa-1,5-dien-1-yloxyhexyl)aniline
CID 173228242
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline (CID 163940531) is N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline is C=CCCCN(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
The InChIKey is RQPHCYGOSOZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h2,4,6-8,11-14H,1,3,5,9-10,15H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline is sourced from PubChem (CID 163940531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).