aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene

C18H23N — CID 142359042

IUPACaniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene
SMILESC/C=C\C(=C/C)C1C=CC=CC1.Nc1ccccc1
InChIInChI=1S/C12H16.C6H7N/c1-3-8-11(4-2)12-9-6-5-7-10-12;7-6-4-2-1-3-5-6/h3-9,12H,10H2,1-2H3;1-5H,7H2/b8-3-,11-4+;
InChIKeyHUAHJEDGMSIXFL-VJVHXOJGSA-N
MW253.39 g/mol
LogP4.91
Rot. Bonds2

About aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene

aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene (PubChem CID 142359042) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameaniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene
PubChem CID142359042
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Nameaniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene
SMILESC/C=C\C(=C/C)C1C=CC=CC1.Nc1ccccc1
InChIInChI=1S/C12H16.C6H7N/c1-3-8-11(4-2)12-9-6-5-7-10-12;7-6-4-2-1-3-5-6/h3-9,12H,10H2,1-2H3;1-5H,7H2/b8-3-,11-4+;
InChIKeyHUAHJEDGMSIXFL-VJVHXOJGSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexa-2,4-dien-1-yl-2-methyl-1-phenylbut-2-en-1-one
CID 151227666
[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene
CID 145152257
2,3-diamino-3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 154433755
aniline;methanol
CID 140536335
aniline;but-2-enedioic acid
CID 160758978
CID 91158460
CID 91158460
aniline;carbanide;hafnium
CID 158735732
N-(2-benzylphenyl)-1-cyclohexa-2,4-dien-1-ylethanimine
CID 166885812
3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,5-dien-1-yl]-4-phenyl-N,N-bis[4-phenyl-3-(4-phenylphenyl)phenyl]aniline
CID 134194323
(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
CID 11001591
aniline;benzene;phenol
CID 159610058
aniline;benzene;benzene-1,4-diol
CID 175585204

Frequently Asked Questions

What is the IUPAC name of aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene?
The IUPAC name of aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene (CID 142359042) is aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene.
What is the SMILES notation for aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene?
The canonical SMILES for aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene is C/C=C\C(=C/C)C1C=CC=CC1.Nc1ccccc1.
What is the InChIKey of aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene?
The InChIKey is HUAHJEDGMSIXFL-VJVHXOJGSA-N. The full InChI is InChI=1S/C12H16.C6H7N/c1-3-8-11(4-2)12-9-6-5-7-10-12;7-6-4-2-1-3-5-6/h3-9,12H,10H2,1-2H3;1-5H,7H2/b8-3-,11-4+;.
What are the key properties of aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene?
aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene has a molecular weight of 253.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 142359042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).