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

C14H25N3 — CID 142302201

IUPAC2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane
SMILESC/C=C\C=c1\[nH]c(CCN)n\c1=C\CC.CC
InChIInChI=1S/C12H19N3.C2H6/c1-3-5-7-11-10(6-4-2)14-12(15-11)8-9-13;1-2/h3,5-7H,4,8-9,13H2,1-2H3,(H,14,15);1-2H3/b5-3-,10-6+,11-7+;
InChIKeyAFCBVZNYVFHTCG-ZEPASLFJSA-N
MW235.37 g/mol
LogP1.48
Rot. Bonds4

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

2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane (PubChem CID 142302201) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane.

Molecular Properties

Compound Name2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane
PubChem CID142302201
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane
SMILESC/C=C\C=c1\[nH]c(CCN)n\c1=C\CC.CC
InChIInChI=1S/C12H19N3.C2H6/c1-3-5-7-11-10(6-4-2)14-12(15-11)8-9-13;1-2/h3,5-7H,4,8-9,13H2,1-2H3,(H,14,15);1-2H3/b5-3-,10-6+,11-7+;
InChIKeyAFCBVZNYVFHTCG-ZEPASLFJSA-N
XLogP1.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
CID 20692443
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
CID 20692450
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazol-3-ium
CID 22090056
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
CID 22090112
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
CID 70599548
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane?
The IUPAC name of 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane (CID 142302201) is 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane.
What is the SMILES notation for 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane?
The canonical SMILES for 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane is C/C=C\C=c1\[nH]c(CCN)n\c1=C\CC.CC.
What is the InChIKey of 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane?
The InChIKey is AFCBVZNYVFHTCG-ZEPASLFJSA-N. The full InChI is InChI=1S/C12H19N3.C2H6/c1-3-5-7-11-10(6-4-2)14-12(15-11)8-9-13;1-2/h3,5-7H,4,8-9,13H2,1-2H3,(H,14,15);1-2H3/b5-3-,10-6+,11-7+;.
What are the key properties of 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane?
2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane has a molecular weight of 235.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]ethanamine;ethane is sourced from PubChem (CID 142302201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).