butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane

C27H45N — CID 143893831

IUPACbutane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane
SMILESC=C/C(=C\CCC)N(C1=CCCC=C1)c1ccccc1.CC.CC.CCCC
InChIInChI=1S/C19H23N.C4H10.2C2H6/c1-3-5-12-17(4-2)20(18-13-8-6-9-14-18)19-15-10-7-11-16-19;1-3-4-2;2*1-2/h4,6,8-10,12-16H,2-3,5,7,11H2,1H3;3-4H2,1-2H3;2*1-2H3/b17-12+;;;
InChIKeyZDWIHALRESQEDL-DPSBJRLESA-N
MW383.66 g/mol
LogP9.46
Rot. Bonds7

About butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane

butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane (PubChem CID 143893831) has the molecular formula C27H45N and a molecular weight of 383.66 g/mol. Its IUPAC name is butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane.

Molecular Properties

Compound Namebutane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane
PubChem CID143893831
Molecular FormulaC27H45N
Molecular Weight383.66 g/mol
Exact Mass383.36
IUPAC Namebutane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane
SMILESC=C/C(=C\CCC)N(C1=CCCC=C1)c1ccccc1.CC.CC.CCCC
InChIInChI=1S/C19H23N.C4H10.2C2H6/c1-3-5-12-17(4-2)20(18-13-8-6-9-14-18)19-15-10-7-11-16-19;1-3-4-2;2*1-2/h4,6,8-10,12-16H,2-3,5,7,11H2,1H3;3-4H2,1-2H3;2*1-2H3/b17-12+;;;
InChIKeyZDWIHALRESQEDL-DPSBJRLESA-N
XLogP9.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane 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-[(3E)-penta-1,3-dien-3-yl]aniline
CID 142973310
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
N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
CID 163940531
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
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
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
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
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
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
(E)-3-N-cyclohexa-1,5-dien-1-yl-1-(4-fluorophenyl)-1-N,5-dimethyl-3-N-phenylhept-3-ene-1,3-diamine;ethane
CID 144844126

Frequently Asked Questions

What is the IUPAC name of butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane?
The IUPAC name of butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane (CID 143893831) is butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane.
What is the SMILES notation for butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane?
The canonical SMILES for butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane is C=C/C(=C\CCC)N(C1=CCCC=C1)c1ccccc1.CC.CC.CCCC.
What is the InChIKey of butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane?
The InChIKey is ZDWIHALRESQEDL-DPSBJRLESA-N. The full InChI is InChI=1S/C19H23N.C4H10.2C2H6/c1-3-5-12-17(4-2)20(18-13-8-6-9-14-18)19-15-10-7-11-16-19;1-3-4-2;2*1-2/h4,6,8-10,12-16H,2-3,5,7,11H2,1H3;3-4H2,1-2H3;2*1-2H3/b17-12+;;;.
What are the key properties of butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane?
butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane has a molecular weight of 383.66 g/mol, XLogP of 9.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-cyclohexa-1,5-dien-1-yl-N-[(3E)-hepta-1,3-dien-3-yl]aniline;ethane is sourced from PubChem (CID 143893831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).