(E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine

C8H13N3 — CID 66116938

IUPAC(E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine
SMILESCn1cncc1/C=C/CCN
InChIInChI=1S/C8H13N3/c1-11-7-10-6-8(11)4-2-3-5-9/h2,4,6-7H,3,5,9H2,1H3/b4-2+
InChIKeyVHOAICUURUDMAE-DUXPYHPUSA-N
MW151.21 g/mol
LogP0.78
Rot. Bonds3

About (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine

(E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine (PubChem CID 66116938) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine
PubChem CID66116938
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine
SMILESCn1cncc1/C=C/CCN
InChIInChI=1S/C8H13N3/c1-11-7-10-6-8(11)4-2-3-5-9/h2,4,6-7H,3,5,9H2,1H3/b4-2+
InChIKeyVHOAICUURUDMAE-DUXPYHPUSA-N
XLogP0.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylimidazol-4-yl)but-3-enamide
CID 170797294
N-ethyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 79347680
4-imidazo[1,2-a]pyrazin-3-ylbut-3-en-1-amine
CID 170487096
1-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazole
CID 165471185
3-(2-aminoethyl)-5-[(3-methylimidazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 77113033
(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine
CID 114666169
2-[(3-methylimidazol-4-yl)methoxy]ethanamine
CID 106938056
5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
CID 170486747
5-(4-aminobut-1-enyl)-1H-pyrimidin-2-one
CID 170487921
N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 79340131
(E)-4-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]but-3-en-1-amine
CID 114666174
3-(3-methylimidazol-4-yl)prop-2-yn-1-amine
CID 122241864

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine (CID 66116938) is (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine is Cn1cncc1/C=C/CCN.
What is the InChIKey of (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine?
The InChIKey is VHOAICUURUDMAE-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-7-10-6-8(11)4-2-3-5-9/h2,4,6-7H,3,5,9H2,1H3/b4-2+.
What are the key properties of (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine?
(E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methylimidazol-4-yl)but-3-en-1-amine is sourced from PubChem (CID 66116938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).