(3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine

C23H27NO — CID 142487241

IUPAC(3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine
SMILESC=C/C(=C\C=C(/C)OC)C(C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO/c1-5-20(17-16-18(2)25-4)19(3)24-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-17,19,23-24H,1H2,2-4H3/b18-16+,20-17+
InChIKeyFBTVSYSJTPGTIA-JEEWHQRCSA-N
MW333.48 g/mol
LogP5.42
Rot. Bonds8

About (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine

(3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine (PubChem CID 142487241) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine
PubChem CID142487241
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name(3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine
SMILESC=C/C(=C\C=C(/C)OC)C(C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO/c1-5-20(17-16-18(2)25-4)19(3)24-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-17,19,23-24H,1H2,2-4H3/b18-16+,20-17+
InChIKeyFBTVSYSJTPGTIA-JEEWHQRCSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-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

(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
CID 115972576
methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
CID 43723711
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
(2E,4E)-5-methoxy-2-methyl-1-(N-phenylanilino)hepta-2,4,6-trien-1-ol
CID 143692858
methyl 2-(benzhydrylamino)-3-hydroxy-4-methylpentanoate
CID 102339823
2-(benzhydrylamino)propan-1-ol
CID 43499566
1-(benzhydrylamino)-1-chloropropan-2-ol
CID 89396786
1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine?
The IUPAC name of (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine (CID 142487241) is (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine.
What is the SMILES notation for (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine?
The canonical SMILES for (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine is C=C/C(=C\C=C(/C)OC)C(C)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine?
The InChIKey is FBTVSYSJTPGTIA-JEEWHQRCSA-N. The full InChI is InChI=1S/C23H27NO/c1-5-20(17-16-18(2)25-4)19(3)24-23(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h5-17,19,23-24H,1H2,2-4H3/b18-16+,20-17+.
What are the key properties of (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine?
(3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine has a molecular weight of 333.48 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-benzhydryl-3-ethenyl-6-methoxyhepta-3,5-dien-2-amine is sourced from PubChem (CID 142487241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).