2-(3-prop-2-enylimidazol-4-yl)ethanamine

C8H13N3 — CID 114717587

IUPAC2-(3-prop-2-enylimidazol-4-yl)ethanamine
SMILESC=CCn1cncc1CCN
InChIInChI=1S/C8H13N3/c1-2-5-11-7-10-6-8(11)3-4-9/h2,6-7H,1,3-5,9H2
InChIKeyQATTXOIFUIJQDC-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.57
Rot. Bonds4

About 2-(3-prop-2-enylimidazol-4-yl)ethanamine

2-(3-prop-2-enylimidazol-4-yl)ethanamine (PubChem CID 114717587) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(3-prop-2-enylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-prop-2-enylimidazol-4-yl)ethanamine
PubChem CID114717587
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-(3-prop-2-enylimidazol-4-yl)ethanamine
SMILESC=CCn1cncc1CCN
InChIInChI=1S/C8H13N3/c1-2-5-11-7-10-6-8(11)3-4-9/h2,6-7H,1,3-5,9H2
InChIKeyQATTXOIFUIJQDC-UHFFFAOYSA-N
XLogP0.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.57
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

(3-prop-2-enylimidazol-4-yl)methanamine
CID 114703830
5-methyl-1-prop-2-enylimidazole;hydroiodide
CID 174273806
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine
CID 114719551
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
CID 114715967
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577
1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 114721672
2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114720975

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3-prop-2-enylimidazol-4-yl)ethanamine (CID 114717587) is 2-(3-prop-2-enylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-prop-2-enylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-prop-2-enylimidazol-4-yl)ethanamine is C=CCn1cncc1CCN.
What is the InChIKey of 2-(3-prop-2-enylimidazol-4-yl)ethanamine?
The InChIKey is QATTXOIFUIJQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-5-11-7-10-6-8(11)3-4-9/h2,6-7H,1,3-5,9H2.
What are the key properties of 2-(3-prop-2-enylimidazol-4-yl)ethanamine?
2-(3-prop-2-enylimidazol-4-yl)ethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114717587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).