ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene

C29H46N4 — CID 143343272

IUPACethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene
SMILESC=C(C)C.C=C/C(=C\C=C(/C)CNC(=C)C(/C=C\C)=N/C(C)=C/C=N/C)C(=C)CC.C=CN
InChIInChI=1S/C23H33N3.C4H8.C2H5N/c1-9-12-23(26-20(6)15-16-24-8)21(7)25-17-18(4)13-14-22(11-3)19(5)10-2;1-4(2)3;1-2-3/h9,11-16,25H,3,5,7,10,17H2,1-2,4,6,8H3;1H2,2-3H3;2H,1,3H2/b12-9-,18-13+,20-15+,22-14+,24-16+,26-23+;;
InChIKeyRDFXTXJOYAWMBC-NSNMTJKCSA-N
MW450.72 g/mol
LogP7.41
Rot. Bonds11

About ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene

ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene (PubChem CID 143343272) has the molecular formula C29H46N4 and a molecular weight of 450.72 g/mol. Its IUPAC name is ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene.

Molecular Properties

Compound Nameethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene
PubChem CID143343272
Molecular FormulaC29H46N4
Molecular Weight450.72 g/mol
Exact Mass450.37
IUPAC Nameethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene
SMILESC=C(C)C.C=C/C(=C\C=C(/C)CNC(=C)C(/C=C\C)=N/C(C)=C/C=N/C)C(=C)CC.C=CN
InChIInChI=1S/C23H33N3.C4H8.C2H5N/c1-9-12-23(26-20(6)15-16-24-8)21(7)25-17-18(4)13-14-22(11-3)19(5)10-2;1-4(2)3;1-2-3/h9,11-16,25H,3,5,7,10,17H2,1-2,4,6,8H3;1H2,2-3H3;2H,1,3H2/b12-9-,18-13+,20-15+,22-14+,24-16+,26-23+;;
InChIKeyRDFXTXJOYAWMBC-NSNMTJKCSA-N
XLogP7.41
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.72
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene 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

(3Z,5Z)-5-(1-aminoethenyl)-2-N-[(3S)-3-fluoropentan-2-yl]-3-methyl-6-N-[(E)-1-[1-[methyl-[(Z)-prop-2-enylideneamino]amino]propan-2-ylideneamino]prop-1-en-2-yl]hepta-1,3,5-triene-2,6-diamine
CID 134187856
2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143344314
(E,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[N-methyl-C-[2-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]ethyl]carbonimidoyl]pent-2-en-1-amine
CID 167255519
(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine
CID 143342084
(E)-N'-[7-[1-[(4-fluoro-3-methylcyclohepta-1,3,6-trien-1-yl)methylamino]ethenyl]-5-methyl-2H-1,4-diazepin-6-yl]-N'-methylethene-1,2-diamine
CID 143343139
(2E,4E)-N-[[3-[(Z)-but-1-enyl]imino-4-iminocyclohexa-1,5-dien-1-yl]methyl]-5-fluoro-4-methylhepta-2,4,6-trien-3-amine
CID 176561633
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine
CID 129169935
(3Z,5E,9E)-8-[(Z)-4-(butan-2-ylamino)but-2-en-2-yl]imino-N-ethyl-6-methylundeca-1,3,5,9-tetraen-2-amine
CID 132185571
(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
CID 134188582
N'-[(3E)-5-methyl-3-(methyliminomethyl)-4-(pentan-2-ylideneamino)hexa-1,3-dien-2-yl]propane-1,3-diamine
CID 134386465
(1E,3E,6Z)-6-ethenyl-3-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]nona-1,3,6,8-tetraene-1,2-diamine
CID 134502439

Frequently Asked Questions

What is the IUPAC name of ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene?
The IUPAC name of ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene (CID 143343272) is ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene.
What is the SMILES notation for ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene?
The canonical SMILES for ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene is C=C(C)C.C=C/C(=C\C=C(/C)CNC(=C)C(/C=C\C)=N/C(C)=C/C=N/C)C(=C)CC.C=CN.
What is the InChIKey of ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene?
The InChIKey is RDFXTXJOYAWMBC-NSNMTJKCSA-N. The full InChI is InChI=1S/C23H33N3.C4H8.C2H5N/c1-9-12-23(26-20(6)15-16-24-8)21(7)25-17-18(4)13-14-22(11-3)19(5)10-2;1-4(2)3;1-2-3/h9,11-16,25H,3,5,7,10,17H2,1-2,4,6,8H3;1H2,2-3H3;2H,1,3H2/b12-9-,18-13+,20-15+,22-14+,24-16+,26-23+;;.
What are the key properties of ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene?
ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene has a molecular weight of 450.72 g/mol, XLogP of 7.41, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene is sourced from PubChem (CID 143343272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).