ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine

C17H25N3 — CID 142874761

IUPACethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
SMILESC=C/C=C(\C=C/C)C1=NC(=N\C=C/C)/C(=C\C)N1.CC
InChIInChI=1S/C15H19N3.C2H6/c1-5-9-12(10-6-2)14-17-13(8-4)15(18-14)16-11-7-3;1-2/h5-11H,1H2,2-4H3,(H,16,17,18);1-2H3/b10-6-,11-7-,12-9+,13-8+;
InChIKeyFKOIJJLBOKBRLI-VJGXHREYSA-N
MW271.41 g/mol
LogP4.54
Rot. Bonds4

About ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine

ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine (PubChem CID 142874761) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine.

Molecular Properties

Compound Nameethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
PubChem CID142874761
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Nameethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
SMILESC=C/C=C(\C=C/C)C1=NC(=N\C=C/C)/C(=C\C)N1.CC
InChIInChI=1S/C15H19N3.C2H6/c1-5-9-12(10-6-2)14-17-13(8-4)15(18-14)16-11-7-3;1-2/h5-11H,1H2,2-4H3,(H,16,17,18);1-2H3/b10-6-,11-7-,12-9+,13-8+;
InChIKeyFKOIJJLBOKBRLI-VJGXHREYSA-N
XLogP4.54
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,5E)-5-butylidene-4-(2-fluoroethylidene)-2-[(2E,4E)-5-methylhepta-2,4-dien-2-yl]-1H-imidazole
CID 144356739
(4E,5E)-5-(3,3-difluoro-2-methylpropylidene)-4-ethylidene-2-[(3Z)-hexa-1,3,5-trien-2-yl]-1H-imidazole
CID 144415148
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
1-N-[(3E,4Z)-6-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-(aminomethylidene)-3-prop-2-enylidene-2-pyridinyl]-2-methylpropane-1,2-diamine
CID 89231364
N-[1-(6-methyl-1,5-dihydrocycloocta[d]imidazol-2-yl)buta-1,3-dienyl]ethanimine
CID 90804757
2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine
CID 91092395
5-ethyl-3-methylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 123749804
2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
CID 130216918
(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine
CID 130457049
(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
CID 132170865
(3E)-N-[(E)-2-methylbut-1-enyl]-3-[(Z)-3-methylidenehex-4-en-2-ylidene]-1H-pyrrol-2-imine
CID 137209332

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
The IUPAC name of ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine (CID 142874761) is ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine.
What is the SMILES notation for ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
The canonical SMILES for ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine is C=C/C=C(\C=C/C)C1=NC(=N\C=C/C)/C(=C\C)N1.CC.
What is the InChIKey of ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
The InChIKey is FKOIJJLBOKBRLI-VJGXHREYSA-N. The full InChI is InChI=1S/C15H19N3.C2H6/c1-5-9-12(10-6-2)14-17-13(8-4)15(18-14)16-11-7-3;1-2/h5-11H,1H2,2-4H3,(H,16,17,18);1-2H3/b10-6-,11-7-,12-9+,13-8+;.
What are the key properties of ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine has a molecular weight of 271.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine is sourced from PubChem (CID 142874761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).