N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide

C18H26N2 — CID 143995418

IUPACN-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
SMILESC=C/C=C(\C=C/C)C(=C)/N=C(\C)N/C(=C\C(=C)C)CC
InChIInChI=1S/C18H26N2/c1-8-11-17(12-9-2)15(6)19-16(7)20-18(10-3)13-14(4)5/h8-9,11-13H,1,4,6,10H2,2-3,5,7H3,(H,19,20)/b12-9-,17-11+,18-13-
InChIKeyDQFPRLABFPWJOL-FPAMROHBSA-N
MW270.42 g/mol
LogP5.07
Rot. Bonds7

About N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide

N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide (PubChem CID 143995418) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
PubChem CID143995418
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
SMILESC=C/C=C(\C=C/C)C(=C)/N=C(\C)N/C(=C\C(=C)C)CC
InChIInChI=1S/C18H26N2/c1-8-11-17(12-9-2)15(6)19-16(7)20-18(10-3)13-14(4)5/h8-9,11-13H,1,4,6,10H2,2-3,5,7H3,(H,19,20)/b12-9-,17-11+,18-13-
InChIKeyDQFPRLABFPWJOL-FPAMROHBSA-N
XLogP5.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.07
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

N'-[(2E,4E)-5-cyano-3-fluoropenta-2,4-dien-2-yl]-N-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]ethanimidamide
CID 134187538
N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
CID 139418781
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylidenepyridin-2-amine
CID 156033214
(E)-N'-(1-amino-2-methylprop-1-enyl)-3-chloro-N-[(2E,4E)-1,5-difluoro-6-methylhepta-2,4,6-trien-3-yl]but-2-enimidamide
CID 143338913
N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-5-methylidenepyridin-2-amine
CID 155584311
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
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
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612
2-methyl-8-methylidene-7-nona-3,6,8-trienyl-4-propyl-4,5-dihydro-1H-1,3-diazocine
CID 123682734
5-ethyl-3-methylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 123749804

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide?
The IUPAC name of 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) is N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide.
What is the SMILES notation for N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide?
The canonical SMILES for N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide is C=C/C=C(\C=C/C)C(=C)/N=C(\C)N/C(=C\C(=C)C)CC.
What is the InChIKey of N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide?
The InChIKey is DQFPRLABFPWJOL-FPAMROHBSA-N. The full InChI is InChI=1S/C18H26N2/c1-8-11-17(12-9-2)15(6)19-16(7)20-18(10-3)13-14(4)5/h8-9,11-13H,1,4,6,10H2,2-3,5,7H3,(H,19,20)/b12-9-,17-11+,18-13-.
What are the key properties of N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide?
N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide has a molecular weight of 270.42 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide is sourced from PubChem (CID 143995418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).