4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine

C25H34N2 — CID 174248069

IUPAC4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine
SMILESC=C/C=C(\C=C/CC)Nc1ccc(NC(/C=C\C)=C/C(=C)C(C)(C)C)cc1
InChIInChI=1S/C25H34N2/c1-8-11-14-21(12-9-2)26-22-15-17-23(18-16-22)27-24(13-10-3)19-20(4)25(5,6)7/h9-19,26-27H,2,4,8H2,1,3,5-7H3/b13-10-,14-11-,21-12+,24-19+
InChIKeyCQXMFAAFTZXRRT-XRQNBTMRSA-N
MW362.56 g/mol
LogP7.61
Rot. Bonds9

About 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine

4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine (PubChem CID 174248069) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine
PubChem CID174248069
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine
SMILESC=C/C=C(\C=C/CC)Nc1ccc(NC(/C=C\C)=C/C(=C)C(C)(C)C)cc1
InChIInChI=1S/C25H34N2/c1-8-11-14-21(12-9-2)26-22-15-17-23(18-16-22)27-24(13-10-3)19-20(4)25(5,6)7/h9-19,26-27H,2,4,8H2,1,3,5-7H3/b13-10-,14-11-,21-12+,24-19+
InChIKeyCQXMFAAFTZXRRT-XRQNBTMRSA-N
XLogP7.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine 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

4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene-1,4-diamine
CID 174248166
4-bromo-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline;ethane
CID 142614749
4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline
CID 142340608
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
CID 142358988
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylaniline;(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 143811434
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
CID 101071939
1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene
CID 143035860
(2Z,8Z,10E)-2-[(1Z,5Z)-2-ethenyl-3-methylidenehepta-1,5-dienyl]-3,5-dimethyl-10-(4-methylanilino)-4-oxotrideca-2,5,8,10,12-pentaenal
CID 144517945
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
CID 146261857
2-methyl-2-phenyl-N-[(4E)-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]butanamide
CID 167214327
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine (CID 174248069) is 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine is C=C/C=C(\C=C/CC)Nc1ccc(NC(/C=C\C)=C/C(=C)C(C)(C)C)cc1.
What is the InChIKey of 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine?
The InChIKey is CQXMFAAFTZXRRT-XRQNBTMRSA-N. The full InChI is InChI=1S/C25H34N2/c1-8-11-14-21(12-9-2)26-22-15-17-23(18-16-22)27-24(13-10-3)19-20(4)25(5,6)7/h9-19,26-27H,2,4,8H2,1,3,5-7H3/b13-10-,14-11-,21-12+,24-19+.
What are the key properties of 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine?
4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine has a molecular weight of 362.56 g/mol, XLogP of 7.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 174248069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).