N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline

C20H25N — CID 144905375

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
SMILESC=C/C=C\C(=C/C)N(/C(C)=C/C=C\C)c1ccc(C)cc1
InChIInChI=1S/C20H25N/c1-6-9-11-18(5)21(19(8-3)12-10-7-2)20-15-13-17(4)14-16-20/h6-16H,2H2,1,3-5H3/b9-6-,12-10-,18-11+,19-8+
InChIKeyGUOQVUJYSPVWPS-NCXAPDEFSA-N
MW279.43 g/mol
LogP5.93
Rot. Bonds6

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline (PubChem CID 144905375) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
PubChem CID144905375
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
SMILESC=C/C=C\C(=C/C)N(/C(C)=C/C=C\C)c1ccc(C)cc1
InChIInChI=1S/C20H25N/c1-6-9-11-18(5)21(19(8-3)12-10-7-2)20-15-13-17(4)14-16-20/h6-16H,2H2,1,3-5H3/b9-6-,12-10-,18-11+,19-8+
InChIKeyGUOQVUJYSPVWPS-NCXAPDEFSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline
CID 144619681
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 144687213
ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 144687212
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 163504442
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
ethane;ethene;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[(2E)-penta-2,4-dien-2-yl]aniline;propane
CID 144687223
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
CID 89264612
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 89229629

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline (CID 144905375) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline is C=C/C=C\C(=C/C)N(/C(C)=C/C=C\C)c1ccc(C)cc1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline?
The InChIKey is GUOQVUJYSPVWPS-NCXAPDEFSA-N. The full InChI is InChI=1S/C20H25N/c1-6-9-11-18(5)21(19(8-3)12-10-7-2)20-15-13-17(4)14-16-20/h6-16H,2H2,1,3-5H3/b9-6-,12-10-,18-11+,19-8+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline has a molecular weight of 279.43 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline is sourced from PubChem (CID 144905375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).