(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane

C25H39N — CID 145365921

IUPAC(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane
SMILESC=C/C=C\C(NC(/C=C\C=C)=C/C)=C1\C=CC=CC1.CC.CC(C)(C)C
InChIInChI=1S/C18H21N.C5H12.C2H6/c1-4-7-14-17(6-3)19-18(15-8-5-2)16-12-10-9-11-13-16;1-5(2,3)4;1-2/h4-12,14-15,19H,1-2,13H2,3H3;1-4H3;1-2H3/b14-7-,15-8-,17-6+,18-16+;;
InChIKeyIZMRZGOHMXBJDT-ISJZLCIQSA-N
MW353.59 g/mol
LogP7.81
Rot. Bonds6

About (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane

(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane (PubChem CID 145365921) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane.

Molecular Properties

Compound Name(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane
PubChem CID145365921
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane
SMILESC=C/C=C\C(NC(/C=C\C=C)=C/C)=C1\C=CC=CC1.CC.CC(C)(C)C
InChIInChI=1S/C18H21N.C5H12.C2H6/c1-4-7-14-17(6-3)19-18(15-8-5-2)16-12-10-9-11-13-16;1-5(2,3)4;1-2/h4-12,14-15,19H,1-2,13H2,3H3;1-4H3;1-2H3/b14-7-,15-8-,17-6+,18-16+;;
InChIKeyIZMRZGOHMXBJDT-ISJZLCIQSA-N
XLogP7.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane with MolForge

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Related Compounds

(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine
CID 146638964
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene
CID 142883877
ethane;2-[1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclopentyl]cyclohepta-1,3,5-triene;methane
CID 145162822
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate
CID 87171123
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
ethane;1,1,1-trifluoro-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]methanesulfonamide
CID 143371256
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane?
The IUPAC name of (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane (CID 145365921) is (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane.
What is the SMILES notation for (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane?
The canonical SMILES for (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane is C=C/C=C\C(NC(/C=C\C=C)=C/C)=C1\C=CC=CC1.CC.CC(C)(C)C.
What is the InChIKey of (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane?
The InChIKey is IZMRZGOHMXBJDT-ISJZLCIQSA-N. The full InChI is InChI=1S/C18H21N.C5H12.C2H6/c1-4-7-14-17(6-3)19-18(15-8-5-2)16-12-10-9-11-13-16;1-5(2,3)4;1-2/h4-12,14-15,19H,1-2,13H2,3H3;1-4H3;1-2H3/b14-7-,15-8-,17-6+,18-16+;;.
What are the key properties of (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane?
(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane has a molecular weight of 353.59 g/mol, XLogP of 7.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane is sourced from PubChem (CID 145365921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).