ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine

C20H34N2 — CID 145498119

IUPACethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
SMILESCC.[H]/N=C(\C=C/C)C(=C/C)/N=C(CC)\C(=C\C=C(C)C)CC
InChIInChI=1S/C18H28N2.C2H6/c1-7-11-16(19)18(10-4)20-17(9-3)15(8-2)13-12-14(5)6;1-2/h7,10-13,19H,8-9H2,1-6H3;1-2H3/b11-7-,15-13+,18-10-,19-16+,20-17+;
InChIKeyLSIOMBPULXXSFD-DHAXHOKWSA-N
MW302.51 g/mol
LogP6.67
Rot. Bonds7

About ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine

ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine (PubChem CID 145498119) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine.

Molecular Properties

Compound Nameethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
PubChem CID145498119
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Nameethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
SMILESCC.[H]/N=C(\C=C/C)C(=C/C)/N=C(CC)\C(=C\C=C(C)C)CC
InChIInChI=1S/C18H28N2.C2H6/c1-7-11-16(19)18(10-4)20-17(9-3)15(8-2)13-12-14(5)6;1-2/h7,10-13,19H,8-9H2,1-6H3;1-2H3/b11-7-,15-13+,18-10-,19-16+,20-17+;
InChIKeyLSIOMBPULXXSFD-DHAXHOKWSA-N
XLogP6.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 56.67
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'}

Analyze ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
3-tert-butyl-1-N-[(Z)-pent-2-en-3-yl]cyclohexa-3,5-diene-1,2-diimine
CID 69090791
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
(Z,4Z)-4-[4-[(Z)-3-imino-2-methylbut-1-enyl]-5-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene]-3-methylbut-2-en-2-amine
CID 89961063
(3E)-3-but-3-enylidene-4,6,9-trimethyl-2,5-diazabicyclo[5.5.0]dodeca-1,4,6,9,11-pentaene
CID 123146075
(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine
CID 123293045
1-[(3Z)-3-ethylidene-6-methyl-4H-pyridin-2-yl]propan-2-imine
CID 123651522
(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine
CID 123784423
3-But-1-enyl-11-methyl-5-methylidenedodeca-3,9,11-trien-2-imine
CID 123788503
7-Tert-butyl-6-methyl-2-propylazepin-3-imine
CID 123806246
(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
CID 123977223
(Z,3E)-N-[(Z)-but-2-en-2-yl]-3-ethylidenehex-4-en-2-imine
CID 126636586

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
The IUPAC name of ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine (CID 145498119) is ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine.
What is the SMILES notation for ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
The canonical SMILES for ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine is CC.[H]/N=C(\C=C/C)C(=C/C)/N=C(CC)\C(=C\C=C(C)C)CC.
What is the InChIKey of ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
The InChIKey is LSIOMBPULXXSFD-DHAXHOKWSA-N. The full InChI is InChI=1S/C18H28N2.C2H6/c1-7-11-16(19)18(10-4)20-17(9-3)15(8-2)13-12-14(5)6;1-2/h7,10-13,19H,8-9H2,1-6H3;1-2H3/b11-7-,15-13+,18-10-,19-16+,20-17+;.
What are the key properties of ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine has a molecular weight of 302.51 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine is sourced from PubChem (CID 145498119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).