3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine

C25H29N — CID 126624466

IUPAC3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine
SMILESC=C(/C=C\C=C/C)c1ccc(CC(=C)N(C)Cc2cccc(C)c2)cc1
InChIInChI=1S/C25H29N/c1-6-7-8-11-21(3)25-15-13-23(14-16-25)18-22(4)26(5)19-24-12-9-10-20(2)17-24/h6-17H,3-4,18-19H2,1-2,5H3/b7-6-,11-8-
InChIKeyHZHYRNQESXXNQK-NJMVCRMVSA-N
MW343.51 g/mol
LogP6.33
Rot. Bonds8

About 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine

3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine (PubChem CID 126624466) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine
PubChem CID126624466
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine
SMILESC=C(/C=C\C=C/C)c1ccc(CC(=C)N(C)Cc2cccc(C)c2)cc1
InChIInChI=1S/C25H29N/c1-6-7-8-11-21(3)25-15-13-23(14-16-25)18-22(4)26(5)19-24-12-9-10-20(2)17-24/h6-17H,3-4,18-19H2,1-2,5H3/b7-6-,11-8-
InChIKeyHZHYRNQESXXNQK-NJMVCRMVSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-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

N-methyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)phenyl]prop-1-en-2-amine
CID 137465226
(4Z,5Z,9Z,11Z)-4-ethylidene-N-[(3-fluorophenyl)methyl]-N-methyl-8-methylidenetrideca-1,5,9,11-tetraen-2-amine
CID 130226200
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene
CID 143222208
2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363437
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine?
The IUPAC name of 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine (CID 126624466) is 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine.
What is the SMILES notation for 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine?
The canonical SMILES for 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine is C=C(/C=C\C=C/C)c1ccc(CC(=C)N(C)Cc2cccc(C)c2)cc1.
What is the InChIKey of 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine?
The InChIKey is HZHYRNQESXXNQK-NJMVCRMVSA-N. The full InChI is InChI=1S/C25H29N/c1-6-7-8-11-21(3)25-15-13-23(14-16-25)18-22(4)26(5)19-24-12-9-10-20(2)17-24/h6-17H,3-4,18-19H2,1-2,5H3/b7-6-,11-8-.
What are the key properties of 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine?
3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine has a molecular weight of 343.51 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-methyl-N-[(3-methylphenyl)methyl]prop-1-en-2-amine is sourced from PubChem (CID 126624466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).