(3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine

C22H29N — CID 142376838

IUPAC(3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine
SMILESC=C/C(=C\C)C(N)C(/C=C\CC)=C/C(=C)c1cc(C)ccc1C
InChIInChI=1S/C22H29N/c1-7-10-11-20(22(23)19(8-2)9-3)15-18(6)21-14-16(4)12-13-17(21)5/h8-15,22H,2,6-7,23H2,1,3-5H3/b11-10-,19-9+,20-15+
InChIKeyPXWHDJGZNGEMNS-AQXNUROPSA-N
MW307.48 g/mol
LogP5.67
Rot. Bonds7

About (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine

(3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine (PubChem CID 142376838) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine.

Molecular Properties

Compound Name(3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine
PubChem CID142376838
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine
SMILESC=C/C(=C\C)C(N)C(/C=C\CC)=C/C(=C)c1cc(C)ccc1C
InChIInChI=1S/C22H29N/c1-7-10-11-20(22(23)19(8-2)9-3)15-18(6)21-14-16(4)12-13-17(21)5/h8-15,22H,2,6-7,23H2,1,3-5H3/b11-10-,19-9+,20-15+
InChIKeyPXWHDJGZNGEMNS-AQXNUROPSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
CID 142049182
(3R,4E,6E)-6-(2,5-dimethylphenyl)-2,2,4-trimethylocta-4,6-dien-3-amine
CID 139446704
(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
CID 142303398
[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane
CID 142967584
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
CID 143963360
(E)-3-(2,5-dimethylphenyl)pent-3-en-2-one;2-methylbutane
CID 143608651
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
1,4-dimethyl-2-prop-1-en-2-ylbenzene;bis(1-ethenyl-4-methylbenzene);hexane;bis(3-methylbut-1-ene);bis(octane)
CID 154679400

Frequently Asked Questions

What is the IUPAC name of (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine?
The IUPAC name of (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine (CID 142376838) is (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine.
What is the SMILES notation for (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine?
The canonical SMILES for (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine is C=C/C(=C\C)C(N)C(/C=C\CC)=C/C(=C)c1cc(C)ccc1C.
What is the InChIKey of (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine?
The InChIKey is PXWHDJGZNGEMNS-AQXNUROPSA-N. The full InChI is InChI=1S/C22H29N/c1-7-10-11-20(22(23)19(8-2)9-3)15-18(6)21-14-16(4)12-13-17(21)5/h8-15,22H,2,6-7,23H2,1,3-5H3/b11-10-,19-9+,20-15+.
What are the key properties of (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine?
(3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine has a molecular weight of 307.48 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6Z)-5-[2-(2,5-dimethylphenyl)prop-2-enylidene]-3-ethylidenenona-1,6-dien-4-amine is sourced from PubChem (CID 142376838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).