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

C20H32N2 — CID 143995417

IUPACethane;N-[(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.CC
InChIInChI=1S/C18H26N2.C2H6/c1-8-11-17(12-9-2)15(6)19-16(7)20-18(10-3)13-14(4)5;1-2/h8-9,11-13H,1,4,6,10H2,2-3,5,7H3,(H,19,20);1-2H3/b12-9-,17-11+,18-13-;
InChIKeyFUHYHOOAJXAYJQ-CQSGXPRLSA-N
MW300.49 g/mol
LogP6.09
Rot. Bonds7

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

ethane;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 143995417) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethane;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 Nameethane;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 CID143995417
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Nameethane;N-[(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.CC
InChIInChI=1S/C18H26N2.C2H6/c1-8-11-17(12-9-2)15(6)19-16(7)20-18(10-3)13-14(4)5;1-2/h8-9,11-13H,1,4,6,10H2,2-3,5,7H3,(H,19,20);1-2H3/b12-9-,17-11+,18-13-;
InChIKeyFUHYHOOAJXAYJQ-CQSGXPRLSA-N
XLogP6.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.09
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
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
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612
5-ethyl-3-methylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 123749804
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275

Frequently Asked Questions

What is the IUPAC name of ethane;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 ethane;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 143995417) is ethane;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 ethane;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 ethane;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.CC.
What is the InChIKey of ethane;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 FUHYHOOAJXAYJQ-CQSGXPRLSA-N. The full InChI is InChI=1S/C18H26N2.C2H6/c1-8-11-17(12-9-2)15(6)19-16(7)20-18(10-3)13-14(4)5;1-2/h8-9,11-13H,1,4,6,10H2,2-3,5,7H3,(H,19,20);1-2H3/b12-9-,17-11+,18-13-;.
What are the key properties of ethane;N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide?
ethane;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 300.49 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;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 143995417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).