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

C21H27N — CID 144619681

IUPACN-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline
SMILESC=C/C=C\C(=C/C)N(C(/C=C\CC)=C/C)c1ccc(C)cc1
InChIInChI=1S/C21H27N/c1-6-10-12-19(8-3)22(20(9-4)13-11-7-2)21-16-14-18(5)15-17-21/h6,8-17H,1,7H2,2-5H3/b12-10-,13-11-,19-8+,20-9+
InChIKeyCAEFFJKVIJQKPI-CUBKDNCTSA-N
MW293.45 g/mol
LogP6.32
Rot. Bonds7

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

N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline (PubChem CID 144619681) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline
PubChem CID144619681
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline
SMILESC=C/C=C\C(=C/C)N(C(/C=C\CC)=C/C)c1ccc(C)cc1
InChIInChI=1S/C21H27N/c1-6-10-12-19(8-3)22(20(9-4)13-11-7-2)21-16-14-18(5)15-17-21/h6,8-17H,1,7H2,2-5H3/b12-10-,13-11-,19-8+,20-9+
InChIKeyCAEFFJKVIJQKPI-CUBKDNCTSA-N
XLogP6.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline?
The IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline (CID 144619681) is N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline is C=C/C=C\C(=C/C)N(C(/C=C\CC)=C/C)c1ccc(C)cc1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline?
The InChIKey is CAEFFJKVIJQKPI-CUBKDNCTSA-N. The full InChI is InChI=1S/C21H27N/c1-6-10-12-19(8-3)22(20(9-4)13-11-7-2)21-16-14-18(5)15-17-21/h6,8-17H,1,7H2,2-5H3/b12-10-,13-11-,19-8+,20-9+.
What are the key properties of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline?
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline has a molecular weight of 293.45 g/mol, XLogP of 6.32, 7 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-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline is sourced from PubChem (CID 144619681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).