ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine

C10H17N3 — CID 142927503

IUPACethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine
SMILESC=C/C=c1/[nH]c(N)n/c1=C/C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-5-7-6(4-2)10-8(9)11-7;1-2/h3-5H,1H2,2H3,(H3,9,10,11);1-2H3/b6-4+,7-5+;
InChIKeyDXLLVZOTSSRGHN-GWDFKRKCSA-N
MW179.27 g/mol
LogP0.79
Rot. Bonds1

About ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine

ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine (PubChem CID 142927503) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine
PubChem CID142927503
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine
SMILESC=C/C=c1/[nH]c(N)n/c1=C/C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-3-5-7-6(4-2)10-8(9)11-7;1-2/h3-5H,1H2,2H3,(H3,9,10,11);1-2H3/b6-4+,7-5+;
InChIKeyDXLLVZOTSSRGHN-GWDFKRKCSA-N
XLogP0.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine 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

(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine
CID 90836383
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396
(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
CID 126552115
2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]guanidine
CID 134533572
(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole
CID 135170936
2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 139305711
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole;ethane
CID 141897496
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole;ethane
CID 141954953
(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane
CID 142401350
(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1H-imidazole
CID 142489447

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine (CID 142927503) is ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine is C=C/C=c1/[nH]c(N)n/c1=C/C.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine?
The InChIKey is DXLLVZOTSSRGHN-GWDFKRKCSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-3-5-7-6(4-2)10-8(9)11-7;1-2/h3-5H,1H2,2H3,(H3,9,10,11);1-2H3/b6-4+,7-5+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine?
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine has a molecular weight of 179.27 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine is sourced from PubChem (CID 142927503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).