(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine

C21H27N — CID 126723388

IUPAC(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine
SMILESCC/C=C\C(=C/N)C(C1=CCC(C)C=C1)c1ccc(C)cc1
InChIInChI=1S/C21H27N/c1-4-5-6-20(15-22)21(18-11-7-16(2)8-12-18)19-13-9-17(3)10-14-19/h5-9,11-15,17,21H,4,10,22H2,1-3H3/b6-5-,20-15+
InChIKeyFHMJEIQJHWNWCN-XOGMPFMPSA-N
MW293.45 g/mol
LogP5.41
Rot. Bonds5

About (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine

(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine (PubChem CID 126723388) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine
PubChem CID126723388
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine
SMILESCC/C=C\C(=C/N)C(C1=CCC(C)C=C1)c1ccc(C)cc1
InChIInChI=1S/C21H27N/c1-4-5-6-20(15-22)21(18-11-7-16(2)8-12-18)19-13-9-17(3)10-14-19/h5-9,11-15,17,21H,4,10,22H2,1-3H3/b6-5-,20-15+
InChIKeyFHMJEIQJHWNWCN-XOGMPFMPSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine 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

1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
CID 142049182
ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
CID 143084783
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-(4-methylcyclohexa-1,5-dien-1-yl)-5-[4-[5-(4-methylphenyl)thiophen-2-yl]phenyl]thiophene
CID 142352355
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792
(Z,5E)-5-ethylidene-6-(4-methylphenyl)oct-3-en-2-amine
CID 143608288
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
acetaldehyde;2,5-dimethylcyclohexa-1,3-diene;methyl-(4-methylphenyl)-diphenyl-λ4-sulfane;toluene
CID 143445233
amino-(4-methylphenyl)methanol
CID 70304176
N-(4-butan-2-ylphenyl)-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methylaniline
CID 143909827
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine (CID 126723388) is (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine is CC/C=C\C(=C/N)C(C1=CCC(C)C=C1)c1ccc(C)cc1.
What is the InChIKey of (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine?
The InChIKey is FHMJEIQJHWNWCN-XOGMPFMPSA-N. The full InChI is InChI=1S/C21H27N/c1-4-5-6-20(15-22)21(18-11-7-16(2)8-12-18)19-13-9-17(3)10-14-19/h5-9,11-15,17,21H,4,10,22H2,1-3H3/b6-5-,20-15+.
What are the key properties of (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine?
(1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[(4-methylcyclohexa-1,5-dien-1-yl)-(4-methylphenyl)methyl]hexa-1,3-dien-1-amine is sourced from PubChem (CID 126723388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).