(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine

C18H21N — CID 146638964

IUPAC(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NC(/C=C\C)=c1\ccccc1=C
InChIInChI=1S/C18H21N/c1-5-8-13-16(7-3)19-18(11-6-2)17-14-10-9-12-15(17)4/h5-14,19H,1,4H2,2-3H3/b11-6-,13-8-,16-7+,18-17+
InChIKeyLFWJARAZBLJKFB-LLHADGEQSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds5

About (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine (PubChem CID 146638964) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine
PubChem CID146638964
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NC(/C=C\C)=c1\ccccc1=C
InChIInChI=1S/C18H21N/c1-5-8-13-16(7-3)19-18(11-6-2)17-14-10-9-12-15(17)4/h5-14,19H,1,4H2,2-3H3/b11-6-,13-8-,16-7+,18-17+
InChIKeyLFWJARAZBLJKFB-LLHADGEQSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine with MolForge

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
(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
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
CID 174151837
CID 174151837
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-ol
CID 88885211
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (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) is (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)NC(/C=C\C)=c1\ccccc1=C.
What is the InChIKey of (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine?
The InChIKey is LFWJARAZBLJKFB-LLHADGEQSA-N. The full InChI is InChI=1S/C18H21N/c1-5-8-13-16(7-3)19-18(11-6-2)17-14-10-9-12-15(17)4/h5-14,19H,1,4H2,2-3H3/b11-6-,13-8-,16-7+,18-17+.
What are the key properties of (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine has a molecular weight of 251.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 146638964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).