(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine

C18H21N — CID 144815881

IUPAC(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine
SMILESC/C=C/C(=C\C(N)C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h2-7,9-12,14,18H,8,13,19H2,1H3/b9-2+,17-14+
InChIKeyLNZYSTLCAAEEKI-QJJYXXBXSA-N
MW251.37 g/mol
LogP4.25
Rot. Bonds4

About (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine

(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine (PubChem CID 144815881) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine
PubChem CID144815881
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine
SMILESC/C=C/C(=C\C(N)C1=CC=CCC1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h2-7,9-12,14,18H,8,13,19H2,1H3/b9-2+,17-14+
InChIKeyLNZYSTLCAAEEKI-QJJYXXBXSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine
CID 142504385
1-cyclohexa-1,3-dien-1-yl-2-iminoethanamine
CID 89154070
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
(E)-3-[3-[(Z,1Z)-1-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]phenyl]-3-[3-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-1-(3-phenylphenyl)prop-2-en-1-amine
CID 144746017
(2S)-2-amino-3-cyclohexa-1,3-dien-1-yl-3-phenylpropanoic acid
CID 71096762
2-cyclohexa-1,3-dien-1-yl-2-phenylsulfanylethanol
CID 144623756
1-butan-2-ylcyclohexa-1,3-diene;toluene;1,4-xylene
CID 144821200
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
cyclohexa-1,3-dien-1-yl(phenyl)silane
CID 154538324
1-[(5E)-5-[(Z)-prop-1-enyl]octa-5,7-dien-4-yl]cyclohexa-1,3-diene
CID 143745692
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine (CID 144815881) is (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine is C/C=C/C(=C\C(N)C1=CC=CCC1)c1ccccc1.
What is the InChIKey of (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine?
The InChIKey is LNZYSTLCAAEEKI-QJJYXXBXSA-N. The full InChI is InChI=1S/C18H21N/c1-2-9-17(15-10-5-3-6-11-15)14-18(19)16-12-7-4-8-13-16/h2-7,9-12,14,18H,8,13,19H2,1H3/b9-2+,17-14+.
What are the key properties of (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine?
(2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine is sourced from PubChem (CID 144815881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).