(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine

C14H19N — CID 144567839

IUPAC(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NC/C(C=C)=C/C=C
InChIInChI=1S/C14H19N/c1-5-9-11-14(8-4)15-12-13(7-3)10-6-2/h5-11,15H,1-3,12H2,4H3/b11-9-,13-10+,14-8+
InChIKeyZESNYXLLJOVISP-COQGYTDUSA-N
MW201.31 g/mol
LogP3.52
Rot. Bonds7

About (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine (PubChem CID 144567839) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
PubChem CID144567839
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(=C/C)NC/C(C=C)=C/C=C
InChIInChI=1S/C14H19N/c1-5-9-11-14(8-4)15-12-13(7-3)10-6-2/h5-11,15H,1-3,12H2,4H3/b11-9-,13-10+,14-8+
InChIKeyZESNYXLLJOVISP-COQGYTDUSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.52
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

(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 146639818
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
(3Z,8Z,10Z)-8-ethenyl-6-methylidene-5-propan-2-ylidenedodeca-1,3,8,10-tetraene
CID 177318715
acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen
CID 142271577

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine (CID 144567839) is (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine is C=C/C=C\C(=C/C)NC/C(C=C)=C/C=C.
What is the InChIKey of (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine?
The InChIKey is ZESNYXLLJOVISP-COQGYTDUSA-N. The full InChI is InChI=1S/C14H19N/c1-5-9-11-14(8-4)15-12-13(7-3)10-6-2/h5-11,15H,1-3,12H2,4H3/b11-9-,13-10+,14-8+.
What are the key properties of (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine has a molecular weight of 201.31 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 144567839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).