N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide

C15H17N3 — CID 142597638

IUPACN-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
SMILESC=C/C=C(C=C)/C(N)=N/C(=N/C)c1ccccc1
InChIInChI=1S/C15H17N3/c1-4-9-12(5-2)14(16)18-15(17-3)13-10-7-6-8-11-13/h4-11H,1-2H2,3H3,(H2,16,17,18)/b12-9+
InChIKeyFXDOJBQPXXTUEK-FMIVXFBMSA-N
MW239.32 g/mol
LogP2.72
Rot. Bonds4

About N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide

N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide (PubChem CID 142597638) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
PubChem CID142597638
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
SMILESC=C/C=C(C=C)/C(N)=N/C(=N/C)c1ccccc1
InChIInChI=1S/C15H17N3/c1-4-9-12(5-2)14(16)18-15(17-3)13-10-7-6-8-11-13/h4-11H,1-2H2,3H3,(H2,16,17,18)/b12-9+
InChIKeyFXDOJBQPXXTUEK-FMIVXFBMSA-N
XLogP2.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.72
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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Related Compounds

[(3E,5E,7E)-7-ethenyl-6-methyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 145134846
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
N'-[2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl]benzenecarboximidamide
CID 174316309
[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
CID 142373254
(2E,4Z)-4-phenylhepta-2,4,6-trien-3-amine
CID 145315287
(1Z,3E)-1,4-dichloro-2-N-[(Z)-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienylidene]amino]-2-N-methylbuta-1,3-diene-1,2,4-triamine
CID 178014475
(1Z)-1-phenylbuta-1,3-diene-1-thiol
CID 11193677
ethene;N'-methylbenzenecarboximidamide
CID 142294327
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylidene-N'-(N-methyl-C-phenylcarbonimidoyl)benzenecarboximidamide
CID 167044537
N-[(2E,4Z)-1-amino-2-ethenylhexa-2,4-dienylidene]-N'-[[10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthren-9-yl]methyl]benzenecarboximidamide
CID 135245364
[(3E)-3-ethenylhexa-1,3,5-trien-2-yl] benzoate
CID 143295221
N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide?
The IUPAC name of N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide (CID 142597638) is N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide is C=C/C=C(C=C)/C(N)=N/C(=N/C)c1ccccc1.
What is the InChIKey of N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide?
The InChIKey is FXDOJBQPXXTUEK-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-9-12(5-2)14(16)18-15(17-3)13-10-7-6-8-11-13/h4-11H,1-2H2,3H3,(H2,16,17,18)/b12-9+.
What are the key properties of N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide?
N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 142597638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).