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

C17H19N — CID 142504385

IUPAC(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine
SMILESC=C/C(=C\C(N)c1ccccc1)C1=CC=CCC1
InChIInChI=1S/C17H19N/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h2-5,7-9,11-13,17H,1,6,10,18H2/b14-13+
InChIKeyWPKIUBJKFNNRJJ-BUHFOSPRSA-N
MW237.35 g/mol
LogP4.08
Rot. Bonds4

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

(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine (PubChem CID 142504385) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine
PubChem CID142504385
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine
SMILESC=C/C(=C\C(N)c1ccccc1)C1=CC=CCC1
InChIInChI=1S/C17H19N/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h2-5,7-9,11-13,17H,1,6,10,18H2/b14-13+
InChIKeyWPKIUBJKFNNRJJ-BUHFOSPRSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.08
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,4E)-1-cyclohexa-1,3-dien-1-yl-3-phenylhexa-2,4-dien-1-amine
CID 144815881
1-buta-1,3-dien-2-ylcyclohexa-1,3-diene;ethene;methane
CID 156747017
(2S)-2-amino-3-cyclohexa-1,3-dien-1-yl-3-phenylpropanoic acid
CID 71096762
cyclohexa-1,3-diene-1-carbonyl benzenecarboperoxoate
CID 118054583
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
(1Z)-3-cyclohexa-1,3-dien-1-yl-1-iodobuta-1,3-dien-1-amine
CID 166738369
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
(Z)-1-cyclohexa-1,3-dien-1-yl-2-(3-propan-2-ylphenyl)ethene-1,2-dithiol
CID 153336613
(2Z)-3-methyl-1-(3-phenylphenyl)penta-2,4-dien-1-amine
CID 144640465
(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
CID 163262165
CID 163262165

Frequently Asked Questions

What is the IUPAC name of (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine (CID 142504385) is (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine is C=C/C(=C\C(N)c1ccccc1)C1=CC=CCC1.
What is the InChIKey of (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine?
The InChIKey is WPKIUBJKFNNRJJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H19N/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h2-5,7-9,11-13,17H,1,6,10,18H2/b14-13+.
What are the key properties of (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine?
(2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine has a molecular weight of 237.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-cyclohexa-1,3-dien-1-yl-1-phenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142504385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).