(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine

C15H19FN2 — CID 138713182

IUPAC(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
SMILESC=C/C=C(F)\C=C(/C)N/C=C(C=C)/C=C\C=N\C
InChIInChI=1S/C15H19FN2/c1-5-8-15(16)11-13(3)18-12-14(6-2)9-7-10-17-4/h5-12,18H,1-2H2,3-4H3/b9-7-,13-11+,14-12+,15-8+,17-10+
InChIKeyJBIZBFOAFGCHOG-QSRGLIOHSA-N
MW246.33 g/mol
LogP3.85
Rot. Bonds7

About (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine

(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine (PubChem CID 138713182) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
PubChem CID138713182
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
SMILESC=C/C=C(F)\C=C(/C)N/C=C(C=C)/C=C\C=N\C
InChIInChI=1S/C15H19FN2/c1-5-8-15(16)11-13(3)18-12-14(6-2)9-7-10-17-4/h5-12,18H,1-2H2,3-4H3/b9-7-,13-11+,14-12+,15-8+,17-10+
InChIKeyJBIZBFOAFGCHOG-QSRGLIOHSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
(1E,3E)-2-(difluoromethyl)-N-ethenyl-3-fluoro-5-methyliminopenta-1,3-dien-1-amine
CID 137532682
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CID 156184118
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CID 170047278
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CID 173699246
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CID 173718866
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CID 176533038
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine
CID 145145037
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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine (CID 138713182) is (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine is C=C/C=C(F)\C=C(/C)N/C=C(C=C)/C=C\C=N\C.
What is the InChIKey of (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine?
The InChIKey is JBIZBFOAFGCHOG-QSRGLIOHSA-N. The full InChI is InChI=1S/C15H19FN2/c1-5-8-15(16)11-13(3)18-12-14(6-2)9-7-10-17-4/h5-12,18H,1-2H2,3-4H3/b9-7-,13-11+,14-12+,15-8+,17-10+.
What are the key properties of (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine?
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine has a molecular weight of 246.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine is sourced from PubChem (CID 138713182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).