1-(4,5-dihydroimidazol-1-yl)ethanamine

C5H11N3 — CID 18997707

IUPAC1-(4,5-dihydroimidazol-1-yl)ethanamine
SMILESCC(N)N1C=NCC1
InChIInChI=1S/C5H11N3/c1-5(6)8-3-2-7-4-8/h4-5H,2-3,6H2,1H3
InChIKeyKKYXLOCTQLBJOS-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.37
Rot. Bonds1

About 1-(4,5-dihydroimidazol-1-yl)ethanamine

1-(4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 18997707) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID18997707
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1-(4,5-dihydroimidazol-1-yl)ethanamine
SMILESCC(N)N1C=NCC1
InChIInChI=1S/C5H11N3/c1-5(6)8-3-2-7-4-8/h4-5H,2-3,6H2,1H3
InChIKeyKKYXLOCTQLBJOS-UHFFFAOYSA-N
XLogP-0.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dihydroimidazol-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)ethanamine (CID 18997707) is 1-(4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)ethanamine is CC(N)N1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is KKYXLOCTQLBJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(6)8-3-2-7-4-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)ethanamine?
1-(4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 18997707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).