ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine

C16H26N4 — CID 143408131

IUPACethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine
SMILESC=c1[nH]c(C/C=C\C=C(N)N)n/c1=C/C/C=C\C.CC
InChIInChI=1S/C14H20N4.C2H6/c1-3-4-5-8-12-11(2)17-14(18-12)10-7-6-9-13(15)16;1-2/h3-4,6-9H,2,5,10,15-16H2,1H3,(H,17,18);1-2H3/b4-3-,7-6-,12-8+;
InChIKeyAFSHZXLFYPQMKG-KYSBDNLCSA-N
MW274.41 g/mol
LogP1.45
Rot. Bonds5

About ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine

ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine (PubChem CID 143408131) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Nameethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine
PubChem CID143408131
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Nameethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine
SMILESC=c1[nH]c(C/C=C\C=C(N)N)n/c1=C/C/C=C\C.CC
InChIInChI=1S/C14H20N4.C2H6/c1-3-4-5-8-12-11(2)17-14(18-12)10-7-6-9-13(15)16;1-2/h3-4,6-9H,2,5,10,15-16H2,1H3,(H,17,18);1-2H3/b4-3-,7-6-,12-8+;
InChIKeyAFSHZXLFYPQMKG-KYSBDNLCSA-N
XLogP1.45
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine 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

N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
CID 139418781
4-(5,6-dihydro-1H-benzimidazol-2-yl)-2-N-prop-1-en-2-ylcyclohexa-2,6-diene-1,2-diamine
CID 89400245
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
CID 129018850
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole
CID 129189847
(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole
CID 130207287
(4E)-4-butylidene-2-methyl-5-methylidene-1H-imidazole
CID 135270852
2,5-Dimethyl-1,5-dihydrocyclohepta[d]imidazole
CID 137466736
(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole
CID 137466850
ethane;2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790726
2-ethyl-5,6-dihydro-1H-benzimidazole
CID 141790727

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine?
The IUPAC name of ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine (CID 143408131) is ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine.
What is the SMILES notation for ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine?
The canonical SMILES for ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine is C=c1[nH]c(C/C=C\C=C(N)N)n/c1=C/C/C=C\C.CC.
What is the InChIKey of ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine?
The InChIKey is AFSHZXLFYPQMKG-KYSBDNLCSA-N. The full InChI is InChI=1S/C14H20N4.C2H6/c1-3-4-5-8-12-11(2)17-14(18-12)10-7-6-9-13(15)16;1-2/h3-4,6-9H,2,5,10,15-16H2,1H3,(H,17,18);1-2H3/b4-3-,7-6-,12-8+;.
What are the key properties of ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine?
ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine has a molecular weight of 274.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-5-[(4E)-5-methylidene-4-[(Z)-pent-3-enylidene]-1H-imidazol-2-yl]penta-1,3-diene-1,1-diamine is sourced from PubChem (CID 143408131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).