[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane

C13H23N3 — CID 142302116

IUPAC[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane
SMILESC/C=C\C=c1\[nH]c(CN)n\c1=C\CC.CC
InChIInChI=1S/C11H17N3.C2H6/c1-3-5-7-10-9(6-4-2)13-11(8-12)14-10;1-2/h3,5-7H,4,8,12H2,1-2H3,(H,13,14);1-2H3/b5-3-,9-6+,10-7+;
InChIKeyIOBIENVBBKRBAO-YPYBOTHRSA-N
MW221.35 g/mol
LogP1.44
Rot. Bonds3

About [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane

[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane (PubChem CID 142302116) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane.

Molecular Properties

Compound Name[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane
PubChem CID142302116
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane
SMILESC/C=C\C=c1\[nH]c(CN)n\c1=C\CC.CC
InChIInChI=1S/C11H17N3.C2H6/c1-3-5-7-10-9(6-4-2)13-11(8-12)14-10;1-2/h3,5-7H,4,8,12H2,1-2H3,(H,13,14);1-2H3/b5-3-,9-6+,10-7+;
InChIKeyIOBIENVBBKRBAO-YPYBOTHRSA-N
XLogP1.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole
CID 145020415
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine
CID 91092395
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
6-Buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 123490451

Frequently Asked Questions

What is the IUPAC name of [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane?
The IUPAC name of [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane (CID 142302116) is [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane.
What is the SMILES notation for [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane?
The canonical SMILES for [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane is C/C=C\C=c1\[nH]c(CN)n\c1=C\CC.CC.
What is the InChIKey of [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane?
The InChIKey is IOBIENVBBKRBAO-YPYBOTHRSA-N. The full InChI is InChI=1S/C11H17N3.C2H6/c1-3-5-7-10-9(6-4-2)13-11(8-12)14-10;1-2/h3,5-7H,4,8,12H2,1-2H3,(H,13,14);1-2H3/b5-3-,9-6+,10-7+;.
What are the key properties of [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane?
[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane has a molecular weight of 221.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane is sourced from PubChem (CID 142302116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).