(3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine

C24H33N — CID 139469127

IUPAC(3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine
SMILESC=CC(/C(C)=C\C(=C\C(=C)NC(=C)C)\C(=C/C)C(=C)C)=C(C)\C=C/C
InChIInChI=1S/C24H33N/c1-11-14-19(8)24(13-3)20(9)15-22(23(12-2)17(4)5)16-21(10)25-18(6)7/h11-16,25H,3-4,6,10H2,1-2,5,7-9H3/b14-11-,20-15+,22-16-,23-12-,24-19+
InChIKeyIMFYJGGWOYKAOI-VXBAXTEZSA-N
MW335.54 g/mol
LogP7.10
Rot. Bonds9

About (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine

(3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine (PubChem CID 139469127) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine.

Molecular Properties

Compound Name(3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine
PubChem CID139469127
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name(3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine
SMILESC=CC(/C(C)=C\C(=C\C(=C)NC(=C)C)\C(=C/C)C(=C)C)=C(C)\C=C/C
InChIInChI=1S/C24H33N/c1-11-14-19(8)24(13-3)20(9)15-22(23(12-2)17(4)5)16-21(10)25-18(6)7/h11-16,25H,3-4,6,10H2,1-2,5,7-9H3/b14-11-,20-15+,22-16-,23-12-,24-19+
InChIKeyIMFYJGGWOYKAOI-VXBAXTEZSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine with MolForge

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Related Compounds

5-Hex-1-enyl-2-nonylidene-1,3-dihydropyrrole
CID 163192483
(3Z,5Z,7Z,9E)-5-ethylidene-9-(1-fluoroprop-2-enylidene)-11-methylidene-4-propyltrideca-1,3,7-trien-2-amine
CID 132012607
(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene
CID 139335626
(3E)-N-[(2E,4E)-2-fluorohepta-2,4-dien-4-yl]-3-prop-1-en-2-ylocta-1,3-dien-2-amine
CID 166651514
N-[(3Z,5Z,9E)-11-fluoro-8,10,11-trimethyl-5-propan-2-yldodeca-1,3,5,9-tetraen-2-yl]-4,5-dimethylcyclopenta-1,4-dien-1-amine
CID 166907367
(3E,5Z)-10-ethenyl-3-fluoro-8-methyl-2,13-dimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene
CID 173929793
5-fluoro-5-methyl-N-[(3E,5Z)-4-methylhepta-1,3,5-trien-3-yl]-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-amine
CID 174314773
(3E,6E)-6-fluoro-4-methyl-N-prop-1-en-2-ylocta-1,3,6-trien-3-amine
CID 142817615
(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]-N-prop-1-en-2-ylprop-1-en-2-amine
CID 143763393
N-[(3E,5E)-7,7-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-dien-1-amine
CID 58121856
2,5-Dimethyl-1,3-dihydropyrrol-3-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87323295
(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine
CID 88556662

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine?
The IUPAC name of (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine (CID 139469127) is (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine.
What is the SMILES notation for (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine?
The canonical SMILES for (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine is C=CC(/C(C)=C\C(=C\C(=C)NC(=C)C)\C(=C/C)C(=C)C)=C(C)\C=C/C.
What is the InChIKey of (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine?
The InChIKey is IMFYJGGWOYKAOI-VXBAXTEZSA-N. The full InChI is InChI=1S/C24H33N/c1-11-14-19(8)24(13-3)20(9)15-22(23(12-2)17(4)5)16-21(10)25-18(6)7/h11-16,25H,3-4,6,10H2,1-2,5,7-9H3/b14-11-,20-15+,22-16-,23-12-,24-19+.
What are the key properties of (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine?
(3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine has a molecular weight of 335.54 g/mol, XLogP of 7.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E,9Z)-7-ethenyl-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine is sourced from PubChem (CID 139469127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).