4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline

C18H23N — CID 143577909

IUPAC4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline
SMILESC=C/C=C\C(C)=C(C)\C=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N/c1-6-7-8-15(2)16(3)9-10-17-11-13-18(14-12-17)19(4)5/h6-14H,1H2,2-5H3/b8-7-,10-9+,16-15+
InChIKeyYGOYOZGQLIZWHJ-XUVYQMKESA-N
MW253.39 g/mol
LogP4.84
Rot. Bonds5

About 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline

4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline (PubChem CID 143577909) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline
PubChem CID143577909
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline
SMILESC=C/C=C\C(C)=C(C)\C=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C18H23N/c1-6-7-8-15(2)16(3)9-10-17-11-13-18(14-12-17)19(4)5/h6-14H,1H2,2-5H3/b8-7-,10-9+,16-15+
InChIKeyYGOYOZGQLIZWHJ-XUVYQMKESA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]prop-2-enethioamide
CID 71356638
4-[(1E)-1-deuteriobuta-1,3-dienyl]-N,N-dimethylaniline
CID 162720451
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(2E)-9-[4-(dimethylamino)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 173304585
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
copper;bis([(E)-3-[4-(dimethylamino)phenyl]-1-oxonioprop-2-enylidene]oxidanium)
CID 53298430
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one;methane
CID 165078297
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[(1E,3E)-hexa-1,3,5-trienyl]-N,N-dimethylaniline;methylidene(2-sulfanylethyl)azanium
CID 143546831

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline (CID 143577909) is 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline is C=C/C=C\C(C)=C(C)\C=C\c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline?
The InChIKey is YGOYOZGQLIZWHJ-XUVYQMKESA-N. The full InChI is InChI=1S/C18H23N/c1-6-7-8-15(2)16(3)9-10-17-11-13-18(14-12-17)19(4)5/h6-14H,1H2,2-5H3/b8-7-,10-9+,16-15+.
What are the key properties of 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline?
4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline is sourced from PubChem (CID 143577909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).