ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine

C20H33N — CID 142219473

IUPACethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=C/C)/C=N/CC(/C=C\C)=C/C=C.CC.CC
InChIInChI=1S/C16H21N.2C2H6/c1-5-9-15(10-6-2)13-17-14-16(11-7-3)12-8-4;2*1-2/h5-13H,1,3,14H2,2,4H3;2*1-2H3/b10-6-,12-8-,15-9+,16-11+,17-13+;;
InChIKeyOUOAKDVBBMVFDK-DSMMCGARSA-N
MW287.49 g/mol
LogP6.49
Rot. Bonds7

About ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine

ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine (PubChem CID 142219473) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine
PubChem CID142219473
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Nameethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=C/C)/C=N/CC(/C=C\C)=C/C=C.CC.CC
InChIInChI=1S/C16H21N.2C2H6/c1-5-9-15(10-6-2)13-17-14-16(11-7-3)12-8-4;2*1-2/h5-13H,1,3,14H2,2,4H3;2*1-2H3/b10-6-,12-8-,15-9+,16-11+,17-13+;;
InChIKeyOUOAKDVBBMVFDK-DSMMCGARSA-N
XLogP6.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-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

(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
2-methyl-2-pentenal N-allylimine
CID 129747538
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
(2Z,6E)-2,7-ditert-butyl-N-[(2E,3E)-2-ethylidene-4-fluoro-3-methylhexa-3,5-dienyl]nona-2,6,8-trien-1-imine
CID 176556879
1-phenyl-N-propylmethanimine;yttrium
CID 58003847
1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
CID 58604558
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 60138482
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488
(2E,4E,6E,8E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 60138494
(2E,4E)-N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
CID 60138499

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine?
The IUPAC name of ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine (CID 142219473) is ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine is C=C/C=C(\C=C/C)/C=N/CC(/C=C\C)=C/C=C.CC.CC.
What is the InChIKey of ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine?
The InChIKey is OUOAKDVBBMVFDK-DSMMCGARSA-N. The full InChI is InChI=1S/C16H21N.2C2H6/c1-5-9-15(10-6-2)13-17-14-16(11-7-3)12-8-4;2*1-2/h5-13H,1,3,14H2,2,4H3;2*1-2H3/b10-6-,12-8-,15-9+,16-11+,17-13+;;.
What are the key properties of ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine?
ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine has a molecular weight of 287.49 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 142219473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).