(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide

C17H22N2 — CID 155419368

IUPAC(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide
SMILESC=C/C=C(C=C)/C(=N\CC)NC(=C)C1C=CC=CC1
InChIInChI=1S/C17H22N2/c1-5-11-15(6-2)17(18-7-3)19-14(4)16-12-9-8-10-13-16/h5-6,8-12,16H,1-2,4,7,13H2,3H3,(H,18,19)/b15-11+
InChIKeyBYWMXYGILAJLPX-RVDMUPIBSA-N
MW254.38 g/mol
LogP3.94
Rot. Bonds6

About (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide

(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide (PubChem CID 155419368) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide
PubChem CID155419368
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide
SMILESC=C/C=C(C=C)/C(=N\CC)NC(=C)C1C=CC=CC1
InChIInChI=1S/C17H22N2/c1-5-11-15(6-2)17(18-7-3)19-14(4)16-12-9-8-10-13-16/h5-6,8-12,16H,1-2,4,7,13H2,3H3,(H,18,19)/b15-11+
InChIKeyBYWMXYGILAJLPX-RVDMUPIBSA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide (CID 155419368) is (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide is C=C/C=C(C=C)/C(=N\CC)NC(=C)C1C=CC=CC1.
What is the InChIKey of (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide?
The InChIKey is BYWMXYGILAJLPX-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-11-15(6-2)17(18-7-3)19-14(4)16-12-9-8-10-13-16/h5-6,8-12,16H,1-2,4,7,13H2,3H3,(H,18,19)/b15-11+.
What are the key properties of (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide?
(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide has a molecular weight of 254.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide is sourced from PubChem (CID 155419368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).