N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide

C17H24N4 — CID 123344635

IUPACN'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide
SMILESC=CC(C)=NC(=C)N=C(C)NC(=C)/C=C(C)/N=C(\C)C=C
InChIInChI=1S/C17H24N4/c1-9-12(3)18-14(5)11-15(6)20-17(8)21-16(7)19-13(4)10-2/h9-11H,1-2,6-7H2,3-5,8H3,(H,20,21)/b14-11+,18-12+,19-13?
InChIKeyBEYCRJIYKDBUFL-HZXPPLBQSA-N
MW284.41 g/mol
LogP4.18
Rot. Bonds7

About N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide

N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide (PubChem CID 123344635) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide
PubChem CID123344635
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide
SMILESC=CC(C)=NC(=C)N=C(C)NC(=C)/C=C(C)/N=C(\C)C=C
InChIInChI=1S/C17H24N4/c1-9-12(3)18-14(5)11-15(6)20-17(8)21-16(7)19-13(4)10-2/h9-11H,1-2,6-7H2,3-5,8H3,(H,20,21)/b14-11+,18-12+,19-13?
InChIKeyBEYCRJIYKDBUFL-HZXPPLBQSA-N
XLogP4.18
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,4,6,8,10,16-Hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene
CID 22086201
N'-buta-1,3-dien-2-yl-N-[(2E)-penta-2,4-dien-2-yl]ethanimidamide
CID 139305356
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 139305364
N'-buta-1,3-dien-2-yl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
CID 139305374
methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
CID 143658324
(2Z)-N'-ethenyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]penta-2,4-dienimidamide
CID 146213468
N-[(3Z)-hexa-1,3-dien-2-yl]-N'-methylethanimidamide
CID 156088066
(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N'-methylhexa-2,4-dienimidamide
CID 169995143
N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
CID 143658325
N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
CID 143995418
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N'-[N'-[(3Z)-hexa-1,3,5-trien-2-yl]carbamimidoyl]ethanimidamide
CID 144184514

Frequently Asked Questions

What is the IUPAC name of N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide (CID 123344635) is N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide is C=CC(C)=NC(=C)N=C(C)NC(=C)/C=C(C)/N=C(\C)C=C.
What is the InChIKey of N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is BEYCRJIYKDBUFL-HZXPPLBQSA-N. The full InChI is InChI=1S/C17H24N4/c1-9-12(3)18-14(5)11-15(6)20-17(8)21-16(7)19-13(4)10-2/h9-11H,1-2,6-7H2,3-5,8H3,(H,20,21)/b14-11+,18-12+,19-13?.
What are the key properties of N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide?
N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 284.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 123344635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).