(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one

C24H24N2O — CID 144552315

IUPAC(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one
SMILESNc1ccc(/C=C/C=C2\CCC/C(=C\C=C\c3ccc(N)cc3)C2=O)cc1
InChIInChI=1S/C24H24N2O/c25-22-14-10-18(11-15-22)4-1-6-20-8-3-9-21(24(20)27)7-2-5-19-12-16-23(26)17-13-19/h1-2,4-7,10-17H,3,8-9,25-26H2/b4-1+,5-2+,20-6+,21-7+
InChIKeyBUYOJACLLCKEJK-DYRCXTJASA-N
MW356.47 g/mol
LogP5.18
Rot. Bonds4

About (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one

(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one (PubChem CID 144552315) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one
PubChem CID144552315
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one
SMILESNc1ccc(/C=C/C=C2\CCC/C(=C\C=C\c3ccc(N)cc3)C2=O)cc1
InChIInChI=1S/C24H24N2O/c25-22-14-10-18(11-15-22)4-1-6-20-8-3-9-21(24(20)27)7-2-5-19-12-16-23(26)17-13-19/h1-2,4-7,10-17H,3,8-9,25-26H2/b4-1+,5-2+,20-6+,21-7+
InChIKeyBUYOJACLLCKEJK-DYRCXTJASA-N
XLogP5.18
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one 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

(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
(2E,6Z)-2,6-bis[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]cyclohexan-1-one
CID 20842383
(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one
CID 142412170
4-[(1E,3E)-4-[4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]phenyl]buta-1,3-dienyl]aniline
CID 18428969
2,5-bis[5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclopentan-1-one
CID 172844935
4-buta-1,3-dienylaniline
CID 59878075
2-cinnamylidene-5-(1,3-dithian-2-ylidene)cyclopentan-1-one
CID 78146457
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
4-[(1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl]benzenethiol
CID 89165670
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one?
The IUPAC name of (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one (CID 144552315) is (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one is Nc1ccc(/C=C/C=C2\CCC/C(=C\C=C\c3ccc(N)cc3)C2=O)cc1.
What is the InChIKey of (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one?
The InChIKey is BUYOJACLLCKEJK-DYRCXTJASA-N. The full InChI is InChI=1S/C24H24N2O/c25-22-14-10-18(11-15-22)4-1-6-20-8-3-9-21(24(20)27)7-2-5-19-12-16-23(26)17-13-19/h1-2,4-7,10-17H,3,8-9,25-26H2/b4-1+,5-2+,20-6+,21-7+.
What are the key properties of (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one?
(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one has a molecular weight of 356.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one is sourced from PubChem (CID 144552315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).