(3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine

C26H36N4 — CID 143346526

IUPAC(3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine
SMILESC=CCCNC(=C)/C(=C/C(=C)C(=C)NC/C(C=C)=C/C(C)=C\C)N1C(=C)CN=C1C
InChIInChI=1S/C26H36N4/c1-10-13-14-27-23(8)26(30-21(6)17-29-24(30)9)16-20(5)22(7)28-18-25(12-3)15-19(4)11-2/h10-12,15-16,27-28H,1,3,5-8,13-14,17-18H2,2,4,9H3/b19-11-,25-15+,26-16-
InChIKeyHQHRCRCHHGSVFN-BSKLSVENSA-N
MW404.60 g/mol
LogP5.54
Rot. Bonds13

About (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine

(3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine (PubChem CID 143346526) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine.

Molecular Properties

Compound Name(3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine
PubChem CID143346526
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC Name(3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine
SMILESC=CCCNC(=C)/C(=C/C(=C)C(=C)NC/C(C=C)=C/C(C)=C\C)N1C(=C)CN=C1C
InChIInChI=1S/C26H36N4/c1-10-13-14-27-23(8)26(30-21(6)17-29-24(30)9)16-20(5)22(7)28-18-25(12-3)15-19(4)11-2/h10-12,15-16,27-28H,1,3,5-8,13-14,17-18H2,2,4,9H3/b19-11-,25-15+,26-16-
InChIKeyHQHRCRCHHGSVFN-BSKLSVENSA-N
XLogP5.54
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine with MolForge

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Related Compounds

(E)-4-amino-3-[[(E)-but-2-en-2-yl]-(dimethylamino)amino]-2-ethyl-N-[(2E,4E)-4-fluorohepta-2,4,6-trienyl]-N'-methylbut-2-enimidamide
CID 156314963
1-Ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine
CID 123235469
4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine
CID 126701293
N'-[2-[[(3E,5Z)-7-aminoocta-1,3,5-trien-3-yl]-[2-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]ethyl]amino]ethyl]-N-[(2Z,4Z,6E)-5-ethenylnona-2,4,6,8-tetraen-4-yl]methanimidamide
CID 129180958
2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide
CID 134270272
N-[2-[(Z)-but-1-enyl]cyclopropyl]-N'-methyl-2-[[(4E,6Z)-4-methyl-3-(methylamino)octa-1,4,6-trien-2-yl]-propylamino]ethanimidamide
CID 134270424
7-N-ethenyl-2-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methyl-3H-azepine-2,7-diamine
CID 138711198
N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene
CID 142133887
N-[[(4Z)-5-(cyclohexa-1,5-dien-1-ylmethylimino)-4-[1-(methylideneamino)ethylidene]-1H-pyrrol-2-yl]methyl]-N-propylpropan-1-amine;ethane
CID 142154822
[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane
CID 142302116
2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane
CID 142302201
ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
CID 142874757

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine?
The IUPAC name of (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine (CID 143346526) is (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine.
What is the SMILES notation for (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine?
The canonical SMILES for (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine is C=CCCNC(=C)/C(=C/C(=C)C(=C)NC/C(C=C)=C/C(C)=C\C)N1C(=C)CN=C1C.
What is the InChIKey of (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine?
The InChIKey is HQHRCRCHHGSVFN-BSKLSVENSA-N. The full InChI is InChI=1S/C26H36N4/c1-10-13-14-27-23(8)26(30-21(6)17-29-24(30)9)16-20(5)22(7)28-18-25(12-3)15-19(4)11-2/h10-12,15-16,27-28H,1,3,5-8,13-14,17-18H2,2,4,9H3/b19-11-,25-15+,26-16-.
What are the key properties of (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine?
(3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine has a molecular weight of 404.60 g/mol, XLogP of 5.54, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-but-3-enyl-6-N-[(2E,4Z)-2-ethenyl-4-methylhexa-2,4-dienyl]-5-methylidene-3-(2-methyl-5-methylidene-4H-imidazol-1-yl)hepta-1,3,6-triene-2,6-diamine is sourced from PubChem (CID 143346526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).