N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline

C17H19N — CID 142973310

IUPACN-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline
SMILESC=C/C(=C\C)N(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C17H19N/c1-3-15(4-2)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h3-5,7-9,11-14H,1,6,10H2,2H3/b15-4+
InChIKeyKIWGTFRDKVMFDC-SYZQJQIISA-N
MW237.35 g/mol
LogP4.82
Rot. Bonds4

About N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline

N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline (PubChem CID 142973310) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline
PubChem CID142973310
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline
SMILESC=C/C(=C\C)N(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C17H19N/c1-3-15(4-2)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h3-5,7-9,11-14H,1,6,10H2,2H3/b15-4+
InChIKeyKIWGTFRDKVMFDC-SYZQJQIISA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane
CID 143893831
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
6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol
CID 145167136
N-cyclohexa-1,5-dien-1-yl-3-[2-[3-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145117481
6-[4-[6-(N-cyclohexa-1,5-dien-1-ylanilino)pyridazin-3-yl]-2,5-dimethylphenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylpyridazin-3-amine
CID 143917976
N-cyclohexa-1,5-dien-1-yl-N-(methylideneamino)aniline
CID 146563747
N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
CID 163940531
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
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
4-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-[(3E)-hexa-1,3,5-trien-3-yl]anilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-cyclohexa-1,5-dien-1-ylaniline
CID 145386855
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
4-N-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-1-N-[4-(N-[(2Z,4E)-hepta-2,4-dien-4-yl]anilino)phenyl]-2-methyl-1-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 143493308

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline (CID 142973310) is N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline is C=C/C(=C\C)N(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline?
The InChIKey is KIWGTFRDKVMFDC-SYZQJQIISA-N. The full InChI is InChI=1S/C17H19N/c1-3-15(4-2)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h3-5,7-9,11-14H,1,6,10H2,2H3/b15-4+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline?
N-cyclohexa-1,5-dien-1-yl-N-[(3E)-penta-1,3-dien-3-yl]aniline has a molecular weight of 237.35 g/mol, XLogP of 4.82, 4 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-[(3E)-penta-1,3-dien-3-yl]aniline is sourced from PubChem (CID 142973310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).