1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine

C9H15N3 — CID 114707390

IUPAC1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
SMILESC=CC(C)n1cncc1C(C)N
InChIInChI=1S/C9H15N3/c1-4-7(2)12-6-11-5-9(12)8(3)10/h4-8H,1,10H2,2-3H3
InChIKeyVEWWBXOIMCMRHZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.65
Rot. Bonds3

About 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine

1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine (PubChem CID 114707390) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
PubChem CID114707390
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
SMILESC=CC(C)n1cncc1C(C)N
InChIInChI=1S/C9H15N3/c1-4-7(2)12-6-11-5-9(12)8(3)10/h4-8H,1,10H2,2-3H3
InChIKeyVEWWBXOIMCMRHZ-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
CID 104943762
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942505
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
2-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-propan-2-ylpropanamide
CID 104943573
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722123
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998
(1R)-1-[3-[1-(5-chlorothiophen-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942456

Frequently Asked Questions

What is the IUPAC name of 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine?
The IUPAC name of 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine (CID 114707390) is 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine is C=CC(C)n1cncc1C(C)N.
What is the InChIKey of 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine?
The InChIKey is VEWWBXOIMCMRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7(2)12-6-11-5-9(12)8(3)10/h4-8H,1,10H2,2-3H3.
What are the key properties of 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine?
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114707390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).