4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline

C22H26N2 — CID 11537013

IUPAC4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H26N2/c1-23(2)21-15-11-19(12-16-21)9-7-5-6-8-10-20-13-17-22(18-14-20)24(3)4/h5-18H,1-4H3/b6-5+,9-7+,10-8+
InChIKeyJGQHLETVKDCCET-NRIIQWGUSA-N
MW318.46 g/mol
LogP5.10
Rot. Bonds6

About 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline

4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline (PubChem CID 11537013) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline
PubChem CID11537013
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H26N2/c1-23(2)21-15-11-19(12-16-21)9-7-5-6-8-10-20-13-17-22(18-14-20)24(3)4/h5-18H,1-4H3/b6-5+,9-7+,10-8+
InChIKeyJGQHLETVKDCCET-NRIIQWGUSA-N
XLogP5.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline (CID 11537013) is 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline?
The InChIKey is JGQHLETVKDCCET-NRIIQWGUSA-N. The full InChI is InChI=1S/C22H26N2/c1-23(2)21-15-11-19(12-16-21)9-7-5-6-8-10-20-13-17-22(18-14-20)24(3)4/h5-18H,1-4H3/b6-5+,9-7+,10-8+.
What are the key properties of 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline?
4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline has a molecular weight of 318.46 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]-N,N-dimethylaniline is sourced from PubChem (CID 11537013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).