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

C24H32N2 — CID 174248166

IUPAC4-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
SMILESC=C/C=C(\C=C/C)Nc1ccc(NC(/C=C\C)=C/C(=C)C(C)(C)C)cc1
InChIInChI=1S/C24H32N2/c1-8-11-20(12-9-2)25-21-14-16-22(17-15-21)26-23(13-10-3)18-19(4)24(5,6)7/h8-18,25-26H,1,4H2,2-3,5-7H3/b12-9-,13-10-,20-11+,23-18+
InChIKeyLVGDXYBNQQCKJS-ABHMZBTQSA-N
MW348.53 g/mol
LogP7.22
Rot. Bonds8

About 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

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 (PubChem CID 174248166) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID174248166
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name4-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
SMILESC=C/C=C(\C=C/C)Nc1ccc(NC(/C=C\C)=C/C(=C)C(C)(C)C)cc1
InChIInChI=1S/C24H32N2/c1-8-11-20(12-9-2)25-21-14-16-22(17-15-21)26-23(13-10-3)18-19(4)24(5,6)7/h8-18,25-26H,1,4H2,2-3,5-7H3/b12-9-,13-10-,20-11+,23-18+
InChIKeyLVGDXYBNQQCKJS-ABHMZBTQSA-N
XLogP7.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 57.22
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)-hepta-1,3,5-trien-4-yl]benzene-1,4-diamine with MolForge

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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)-hepta-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)-hepta-1,3,5-trien-4-yl]benzene-1,4-diamine (CID 174248166) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(\C=C/C)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)-hepta-1,3,5-trien-4-yl]benzene-1,4-diamine?
The InChIKey is LVGDXYBNQQCKJS-ABHMZBTQSA-N. The full InChI is InChI=1S/C24H32N2/c1-8-11-20(12-9-2)25-21-14-16-22(17-15-21)26-23(13-10-3)18-19(4)24(5,6)7/h8-18,25-26H,1,4H2,2-3,5-7H3/b12-9-,13-10-,20-11+,23-18+.
What are the key properties of 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?
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 has a molecular weight of 348.53 g/mol, XLogP of 7.22, 8 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)-hepta-1,3,5-trien-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 174248166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).