2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine

C8H15N3 — CID 67728757

IUPAC2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine
SMILESC=CCN1CCN=C1CCN
InChIInChI=1S/C8H15N3/c1-2-6-11-7-5-10-8(11)3-4-9/h2H,1,3-7,9H2
InChIKeyCJKVGTVCRVEIQC-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.24
Rot. Bonds4

About 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine

2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine (PubChem CID 67728757) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine
PubChem CID67728757
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine
SMILESC=CCN1CCN=C1CCN
InChIInChI=1S/C8H15N3/c1-2-6-11-7-5-10-8(11)3-4-9/h2H,1,3-7,9H2
InChIKeyCJKVGTVCRVEIQC-UHFFFAOYSA-N
XLogP0.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
The IUPAC name of 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine (CID 67728757) is 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine is C=CCN1CCN=C1CCN.
What is the InChIKey of 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
The InChIKey is CJKVGTVCRVEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-6-11-7-5-10-8(11)3-4-9/h2H,1,3-7,9H2.
What are the key properties of 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)ethanamine is sourced from PubChem (CID 67728757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).